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| Naslov | Autori | DOI | ISBN ili ISSN | Godina | Časopis, knjiga, konferencija | Svezak | Izdanje | Stranice |
|---|---|---|---|---|---|---|---|---|
| Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation | Duplančić Marina, Gomzi Vjeran, Pintar Albin, Kurajica Stanislav, Tomašić Vesna | 10.1016/j.ceramint.2020.09.147 | 0272-8842 | 2021 | Ceramics international | 47 | 3108-3121 | |
| Error Evaluation and Suitability Assessment of Common Reliability Methods in the Case of Shallow Foundations | Dodigović Filip, Ivandić Krešo, Kovačević Meho Saša, Soldo Božo | 10.3390/app11020795 | 2021 | Applied Sciences-Basel | 11 | 2 | - | |
| Molecular Dynamics Simulations of Mitochondrial Uncoupling Protein 2 | Škulj Sanja, Brkljača Zlatko, Kreiter Jürgen, Pohl Elena E., Vazdar Mario | 10.3390/ijms22031214 | 2021 | International journal of molecular sciences | 22(3) | - | ||
| How Secure Are Two-Way Ping-Pong and LM05 QKD Protocols under a Man-in-the-Middle Attack? | Pavičić Mladen | 10.3390/e23020163 | 2021 | Entropy (Basel. Online) | 23 | 2 | - | |
| Chemistry and Reactivity of 4-hydroxy-2-nonenal (HNE) in Model Biological Systems | Vazdar Katarina, Škulj Sanja, Bakarić Danijela, Margetić Davor, Vazdar Mario | 10.2174/1389557521666210105110538 | 1389-5575 | 2021 | Mini-reviews in medicinal chemistry | 21 | 1-12 | |
| Sulfur molecules in space by X-rays: a computational study | Bilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne Ann, Lehtola Susi | 10.1021/acsearthspacechem.0c00238 | 2021 | ACS Earth and Space Chemistry | - | |||
| ANT1 Activation and Inhibition Patterns Support the Fatty Acid Cycling Mechanism for Proton Transport | Kreiter Jürgen, Rupprecht Anne, Škulj Sanja, Brkljača Zlatko, Žuna Kristina, Knyazev Denis G., Bardakji Sarah, Vazdar Mario, Pohl Elena E. | 10.3390/ijms22052490 | 2021 | International journal of molecular sciences | 22(5) | - | ||
| Modelling of the adsorption of pharmaceutically active compounds on carbon-based nanomaterials | Ivanković Klaudija, Kern Matej, Rožman Marko | 10.1016/j.jhazmat.2021.125554 | 0304-3894 | 2021 | Journal of hazardous materials | 414 | - | |
| DFT‐PCM Study on Solvolytic Behaviour of N‐alkyl‐X‐pyridinium Ions | Matić Mirela, Denegri Bernard | 10.1002/slct.202004231 | 2021 | ChemistrySelect | 6 | 9 | 2410-2423 | |
| Sensing capabilities of ultrathin BaTiO3 nanostructures toward carbon oxides based on optical signals from the theoretical perspective | Lukačević Igor, Varga Pajtler Maja, Mužević Matko | 10.1016/j.matchemphys.2021.124434 | 0254-0584 | 2021 | Materials chemistry and physics | 265 | 124434-124440 | |
| Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu4 systems through CO2 hydrogenation | Singh Deobrat, Gupta Sanjeev K., Seriani Nicola, Lukačević Igor, Sonvane Yogesh, Gajjar P. N., Ahuja Rajeev | 10.1039/D0SE01587C | 2021 | Sustainable Energy & Fuels | 5 | 2 | 564-574 | |
| Selective DNA and protein isolation from marine macrophyte surfaces | Korlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana | 10.3389/fmicb.2021.665999 | 1664-302X | 2021 | Frontiers in microbiology | 12 | - | |
| Synthesis and photochemistry of novel 1,2,3-triazole di-heterostilbenes. An experimental and computational study | Ratković Ana, Mlakić Milena, Dehaen Wim, Opsomer Tomas, Barić Danijela, Škorić Irena | 10.1016/j.saa.2021.120056 | 1386-1425 | 2021 | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy | 261 | - | |
| Unravelling the inhibitory zinc ion binding site and the metal exchange mechanism in human DPP III | Tomić Antonija, Brkić Hrvoje, Matić Antonia, Tomić Sanja | 10.1039/D1CP01302E | 1463-9076 | 2021 | PCCP. Physical chemistry chemical physics | 23 | 13267-13275 | |
| Mitochondrial Uncoupling Proteins (UCP1-UCP3) and Adenine Nucleotide Translocase (ANT1) Enhance the Protonophoric Action of 2,4-Dinitrophenol in Mitochondria and Planar Bilayer Membranes | Žuna Kristina, Jovanović Olga, Khailova Ljudmila S., Škulj Sanja, Brkljača Zlatko, Kreiter Jürgen, Kotova Elena A., Vazdar Mario, Antonenko Yuri N. Antonenko, Pohl Elena E. | 10.3390/biom11081178 | 2021 | Biomolecules | 11 | 1178-1192 | ||
| Prediction of the kinetic stability of N-alkyl X-pyridinium ions in dichloromethane | Matić Mirela, Denegri Bernard | 10.1002/poc.4248 | 0894-3230 | 2021 | Journal of physical organic chemistry | 34 | - | |
| Seasonal dynamics of epiphytic microbial communities on marine macrophyte surfaces | Korlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana | 10.3389/fmicb.2021.671342 | 1664-302X | 2021 | Frontiers in microbiology | 12 | - | |
| Disocijacijska duljina raspršenja atomskog trimera u osnovnome stanju | Leon Ćatipović | 2020-07-02 | ||||||
| Effect of source-code preprocessing techniques on plagiarism detection accuracy in student programming assignments | Matija Novak | 2020-02-02 | ||||||
| Modeling and synthesis of novel oxime derivatives as potential cholinesterase inhibitors | Ratković Ana, Pavlović Kristina, Barić Danijela, Marinić Željko, Grgičević Ivan, Škorić Irena | 10.1016/j.molstruc.2019.127149 | 0022-2860 | 2020 | Journal of molecular structure | 1200 | 127149-127149 | |
| From Grammar Inference to Semantic Inference—An Evolutionary Approach | Kovačević Željko, Mernik Marjan, Ravber Miha, Črepinšek Matej | 10.3390/math8050816 | 2020 | Mathematics | 8 | 5 | 1-24 | |
| Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier | Škulj Sanja, Brkljača Zlatko, Vazdar Mario | 10.1002/ijch.202000011 | 2020 | Israel journal of chemistry | - | |||
| Chloride-Assisted Peptide Macrocyclization | Vidović Nikolina, Horvat Gordan, Riva Davide, Rinkovec Tamara, Cindro Nikola, Tomišić Vladislav, Speranza Giovanna | 10.1021/acs.orglett.0c00036 | 1523-7060 | 2020 | Organic letters | 22 | 6 | 2129-2134 |
| Synthesis, photochemistry and photophysics of new butadiene derivatives: influence of the fluoro, dimethylamino and nitro substituents on the molecular structure and photoinduced behavior | Grgičević Ana, Fodor Lajos, Barić Danijela, Poje Margareta, Marinić Željko, Horváth Ottó, Škorić Irena | 10.1016/j.jphotochem.2020.112690 | 1010-6030 | 2020 | Journal of photochemistry and photobiology. A, Chemistry | 400 | 112690-112690 | |
| Učenje prijenosom znanja iz vremenskih serija - u kojoj su mjeri značajke prenosive? | Otović Erik | 2020 | - | |||||
| Novel radial distribution function approach in the study of point mutations: the HIV-1 protease case study | Novak Jurica, Grishina Maria A., Potemkin Vladimir A. | 10.4155/fmc-2020-0042 | 1756-8919 | 2020 | Future Medicinal Chemistry | 12 | 11 | 1025-1036 |
| Benzobicyclo[3.2.1]octene derivatives as a new class of cholinesterase inhibitors | Čadež Tena, Grgičević Ana, Ahmetović Ramiza, Barić Danijela, Maček Hrvat Nikolina, Kovarik Zrinka, Škorić Irena | 10.3390/molecules25214872 | 2020 | Molecules | 25 | 21 | - | |
| Inferring Absolutely Non-Circular Attribute Grammars with a Memetic Algorithm | Ravber Miha, Kovačević Željko, Črepinšek Matej, Mernik Marjan | 10.1016/j.asoc.2020.106956 | 1568-4946 | 2020 | Applied Soft Computing | 100 | - | |
| Implicit Hari–Zimmermann algorithm for the generalized SVD on the GPUs | Novaković Vedran, Singer Sanja | 10.1177/1094342020972772 | 2020 | International journal of high performance computing applications | - | |||
| Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations | Vušak Darko, Pejić Jelena, Jurković Mia, Szalontai Gábor, Sabolović Jasmina | 10.1039/D0CE00585A | 2020 | CrystEngComm | 22 | 34 | 5587-5600 | |
| Symmetry breaking in the solid state of 9,10- anthracene amino acid conjugates as seen by X-ray diffraction and NMR spectroscopy | Perić Berislav, Szalontai Gabor, Borovina Mladen, Vikić-Topić Dražen, Srećko Kirin | 10.1016/j.molstruc.2020.128834 | 0022-2860 | 2020 | Journal of molecular structure | 1221 | - | |
| A Detailed Kinetico-Mechanistic Investigation on the Palladium C–H Bond Activation in Azobenzenes and Their Monopalladated Derivatives | Bjelopetrović Alen, Barišić Dajana, Duvnjak Zrinka, Džajić Ivan, Juribašić Kulcsar Marina, Halasz Ivan, Martinez Manuel, Budimir Ana, Babić Darko, Ćurić Manda | 10.1021/acs.inorgchem.0c02418 | 0020-1669 | 2020 | Inorganic chemistry | 59 | 23 | 17123-17133 |
| Structural characterization of β-glycolaldehyde dimer | Mohaček Grošev Vlasta, Prugovečki Biserka, Prugovečki Stjepan | 10.5562/cca3606 | 0011-1643 | 2020 | Croatica chemica acta | 93 | 1 | P1-P8 |
| Vibrational dynamics of 1, 3-propanediol in liquid, polycrystalline and glassy states: a Raman spectroscopic study | Mohaček Grošev Vlasta, Baran Nikola | 10.1016/j.saa.2019.117567 | 1386-1425 | 2020 | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy | 226 | - | |
| Phase control for quasi-2D blue emitters by spacer cation engineering | Tam Ho Won, Leung Tik Lun, Sun Wenting, Liu Fangzhou, Ma Chao, Kam Chun Sing, Lončarić Ivor, Grisanti Luca, Ovčar Juraj, Skoko Željko, Popović Jasminka, Đurisic Aleksandra | 10.1039/d0tc01631d | 2050-7526 | 2020 | Journal of Materials Chemistry C | 8 | 11052-11060 | |
| Mono‐Phosphazenyl Phosphines (R 2 N) 3 P=N–P(NR 2 ) 2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of Chelates | Kögel Julius F., Ullrich Sebastian, Kovačević Borislav, Wagner Sebastian, Sundermeyer Jörg | 10.1002/zaac.202000108 | 0044-2313 | 2020 | Zeitschrift für anorganische und allgemeine Chemie | 646 | 13 | 923-932 |
| The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(I) nitrate complexes | Roca Sunčica, Hok Lucija, Vianello Robert, Borovina Mladen, Đaković Marijana, Karanović Ljiljana, Vikić-Topić Dražen, Popović Zora | 10.1039/d0ce01257b | 2020 | Crystengcomm | 22 | 7962-7974 | ||
| Drug screening with the Autodock Vina on a set of kinases without experimentally established structures | Tomić Draško, Davidović Davor, Janđel Vladimir, Mesarić Josip, Skala Karolj, Lipić Tomislav | 10.23919/mipro48935.2020.9245440 | 2020 | MIPRO 2020 43rd International Convention | 395-401 | |||
| Phylogeography of Campanula fenestrellata s.l. (Campanulaceae) in the northern Adriatic | Rešetnik Ivana, Temunović Martina, Liber Zlatko, Satovic Zlatko, Bogdanovic Sandro | 10.1007/s00606-020-01668-6 | 0378-2697 | 2020 | Plant systematics and evolution | 306 | - | |
| Spatial distribution, niche ecology and conservation genetics of Degenia velebitica (Brassicaceae), a narrow endemic species of the north-western Dinaric Alps | Liber Zlatko, Surina Boštjan, Nikolić Toni, Škrtić Danijel, Šatović Zlatko | 10.1007/s00606-020-01695-3 | 0378-2697 | 2020 | Plant systematics and evolution | 306 | 4 | - |
| Salvia officinalis survived in situ Pleistocene glaciation in ‘refugia within refugia’ as inferred from AFLP markers | Jug‑Dujaković Marija , Ninčević Tonka , Liber Zlatko , Grdiša Martina , Šatović Zlatko | 10.1007/s00606-020-01665-9 | 0378-2697 | 2020 | Plant systematics and evolution | 306 | - | |
| The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental study | Maršavelski Aleksandra, Sabljić Igor, Sugimori Daisuke, Kojić-Prodić Biserka | 10.1016/j.ijbiomac.2020.04.198 | 0141-8130 | 2020 | International journal of biological macromolecules | 158 | 222-230 | |
| Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryos | Palčić Ana, Babić Sanja, Maršavelski Aleksandra, Galić Maja, Topić Popović Natalija, Strunjak Perović Ivančica, Čož-Rakovac Rozelindra, Bronić Josip, Valtchev Valentin | 10.1016/j.micromeso.2020.110103 | 2020 | Microporous and mesoporous materials | - | |||
| Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database | Novak Jurica, Rimac Hrvoje, Kandagalla Shivananda, Grishina Maria A., Potemkin Vladimir A. | 2020 | Future Medicinal Chemistry | - | ||||
| Attenuation of hepatic and breast cancer cells by Polygonatum verticillatum embedded silver nanoparticles | Pathak Manish, Pathak Prateek, Rimac Hrvoje, Grishina Maria, Bagale Uday, Kumar Vikas, Majee Rahul, Potemkin Vladimir, Verma Amita | 10.1016/j.bcab.2020.101863 | 1878-8181 | 2020 | Biocatalysis and Agricultural Biotechnology | 30 | - | |
| Design, synthesis, and computational study of hybrid quinazoline-1,3,5-triazines as epidermal growth factor receptor (EGFR) inhibitors with anticancer activity | Pathak Prateek, Rimac Hrvoje, Grishina Maria, Verma Amita, Potemkin Vladimir | 10.1002/cmdc.202000646 | 2020 | ChemMedChem | - | |||
| Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain-human angiotensin-converting enzyme 2 interface to combat SARSCoV-2 | Pavan Gollapalli, Sharath Belenahalli Shekarappa, Rimac Hrvoje, Patil Prakash, Kumari Nalilu Suchetha, Kandagalla Shivanandha, Shetty Praveenkumar | 10.1080/07391102.2020.1841681 | 2020 | Journal of biomolecular structure & dynamics | - | |||
| Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitors | Kandagalla Shivananda, Belenahalli Shekarappa Sharath, Rimac Hrvoje, Grishina Maria A., Potemkin Vladimir A., Hanumanthappa Manjunatha | 10.1016/j.jmgm.2020.107756 | 1093-3263 | 2020 | Journal of molecular graphics & modelling | 101 | - | |
| Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications | Rimac Hrvoje, Tandarić Tana, Vianello Robert, Bojić Mirza | 10.3390/ijms21165740 | 2020 | International journal of molecular sciences | 21 | 16 | - | |
| Novel Harmicines with Improved Potency against Plasmodium | Marinović Marina, Perković Ivana, Fontinha Diana, Prudêncio Miguel, Held Jana, Pessanha de Carvalho Lais, Tandarić Tana, Vianello Robert, Zorc Branka, Rajić Zrinka | 10.3390/molecules25194376 | 2020 | Molecules | 25 | 19 | - | |
| Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1, 2-a]quinoline-6-carbonitriles | Horak Ema, Babić Darko, Vianello Robert, Perin Nataša, Hranjec Marijana, Steinberg Ivana | 10.1016/j.saa.2019.117588 | 1386-1425 | 2020 | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy | 227 | - | |
| Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline Derivatives | Rowlands Gareth J., Severinsen Rebecca J., Buchanan Jenna K., Shaffer Karl J., Jameson Heather T., Thennakoon Nishani, Leito Ivo, Lõkov Märt, Kütt Agnes, Vianello Robert, Despotović Ines, Radić Nena, Plieger Paul G. | 10.1021/acs.joc.0c01428 | 0022-3263 | 2020 | Journal of organic chemistry | 85 | 11297-11308 | |
| The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions | Hok Lucija, Mavri Janez, Vianello Robert | 10.3390/molecules25246017 | 2020 | Molecules | 25 | 24 | - | |
| Evolutionary operators for the Hamiltonian completion problem | Puljić Krunoslav, Manger Robert | 10.1007/s00500-020-05063-8 | 1432-7643 | 2020 | Soft computing | 24 | 23 | 18073-18088 |
| Fluorinated twist-bend nematogens: the role of intermolecular interaction | Knežević Anamarija, Dokli Irena, Novak Jurica, Kontrec Darko, Lesac Andreja | 10.1080/02678292.2020.1817585 | 2020 | Liquid crystals | - | |||
| QMC study of trapped Bose-Bose mixtures at finite temperature | Dželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra | 2020 | Exploring Quantum Many‐Body Physics with Ultracold Atoms and Molecules- Booklet with abstracts | 105-105 | ||||
| Trapped Bose-Bose mixtures at finite temperature: A quantum Monte Carlo approach | Dželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra | 10.1103/physreva.102.063304 | 2469-9926 | 2020 | Physical Review A | 102 | 6 | 063304-1 |
| Quantum Monte Carlo study of strongly interacting bosonic one-dimensional systems in periodic potentials | Dželalija K., Markić L. Vranješ | 10.1103/physreva.101.013626 | 2469-9926 | 2020 | Physical review. A | 101 | 1 | - |
| Crossover from one to two dimensions in liquid 4He in a nanopore | Vranješ Markić Leandra, Dželalija Krešimir | 10.1103/PhysRevB.101.104505 | 2469-9950 | 2020 | Physical review. B. | 101 | 104505-1 | |
| Ferrocene-Fused Acenequinones: Synthesis, Structure and Reaction Chemistry | Mahrholdt Julia, Kovalski Eduard, Korb Marcus, Hildebrandt Alexander, Vrček Valerije, Lang Heinrich | 10.1002/ejic.202000956 | 2020 | European journal of inorganic chemistry | - | |||
| Ionization Energy and Reduction Potential in Ferrocene Derivatives. Comparison of Hybrid and Pure DFT Functionals | Toma Mateja, Kuvek Tea, Vrček Valerije | 10.1021/acs.jpca.0c06663 | 1089-5639 | 2020 | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory | 124 | 39 | 8029-8039 |
| Uloga mitohondrijskih proteina rasprezanja u mehanizmu prijenosa protona kroz unutrašnju mitohondrijsku membranu | Škulj Sanja | 2020 | - | |||||
| Reaktivnost i efekti stabilizacije difenil-fosfinata | Ivana Tarandek | 2019-06-14 | ||||||
| Covalent modification of phosphatidylethanolamine by 4-hydroxy-2-nonenal increases sodium permeability across phospholipid bilayer membranes | Jovanović Olga, Škulj Sanja, Pohl Elena E., Vazdar Mario | 10.1016/j.freeradbiomed.2019.08.027 | 0891-5849 | 2019 | Free radical biology & medicine | 143 | 433-440 | |
| Utilizing the Azaazulene Scaffolds in the Design of New Organic Superbases | Barić Danijela | 10.1021/acsomega.9b02087 | 2019 | ACS Omega | 4 | 12 | 15197-15207 | |
| Inquisitive Geometric Sites in h-BN Monolayer for Alkali Earth Metal Ion Batteries | Kansara Shivam, Gupta Sanjeev K., Sonvane Yogesh, Varga Pajtler Maja, Ahuja Rajeev | 10.1021/acs.jpcc.9b04498 | 1932-7447 | 2019 | The Journal of Physical Chemistry C | 123 | 32 | 19340-19346 |
| Prospects for experimental realization of two-dimensional aluminium allotropes | Lukačević Igor, Varga Pajtler Maja, Mužević Matko, Gupta Sanjeev K. | 10.1039/C8TC04718A | 2050-7526 | 2019 | Journal of Materials Chemistry C | 7 | 9 | 2666-2675 |
| Hypergraph Contextuality | Pavičić Mladen | 10.3390/e21111107 | 1099-4300 | 2019 | Entropy (Basel. Online) | 21 | 11 | 1107-1 |
| New zinc ion parameters suitable for classical MD simulations of zinc metallo-peptidases | Tomić Antonija, Horvat Gordan, Ramek Michael, Agić Dejan, Brkić Hrvoje, Tomić Sanja | 10.1021/acs.jcim.9b00235 | 1549-9596 | 2019 | Journal of chemical information and modeling | 59 | 8 | 3437-3453 |
| A Computational Insight into Reaction Between Different Amino Acids with Reactive Aldehydes 4- hydroxy-2-nonenal and 4-oxo-2-nonenal | Škulj Sanja, Vazdar Mario | 2019 | Croatica chemica acta | - | ||||
| Effect of electric field on optoelectronic properties of indiene monolayer for photoelectric nanodevices | Singh Deobrat, Gupta Sanjeev K., Lukacevic Igor, Muzevic Matko, Sonvane Yogesh, Ahuja Rajeev | 10.1038/s41598-019-53631-2 | 2019 | Scientific reports | 9 | - | ||
| Conformational Analyses of Physiological Binary and Ternary Copper(II) Complexes with L‐Asparagine and L‐Histidine ; Study of Tridentate Binding of Copper(II) in Aqueous Solution | Ramek Michael, Marković Marijana, Mutapčić Ilina, Pejić Jelena, Kelterer Anne-Marie, Sabolović Jasmina | 10.1002/open.201900159 | 2191-1363 | 2019 | ChemistryOpen | 8 | 852-868 | |
| Facile Mechanochemical Anion Substitution in Cyclopalladated Azo-benzenes | Bjelopetrović Alen, Robić , Marko Halasz, Babić Darko, Juribašić Kulcsar Marina, Ćurić Manda | 10.1021/acs.organomet.9b00626 | 0276-7333 | 2019 | Organometallics | 38 | 22 | 4479-4484 |
| Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite Films | Leung Tik Lun, Tam Ho Won, Liu Fangzhou, Lin Jingyang, Ng Alan Man Ching, Chan Wai Kin, Chen Wei, He Zhubing, Lončarić Ivor, Grisanti Luca, Ma Chao, Wong Kam Sing, Lau Ying Suet, Zhu Furong, Skoko Željko, Popović Jasminka, Djurišić Aleksandra B. | 10.1002/adom.201901679 | 2019 | Advanced optical materials | 8 | 4 | - | |
| Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase | Bilić Luka, Barić Danijela, Banhatti Radha Dilip, Smith David M., Kovačević Borislav | 10.1021/acs.jpcb.9b04071 | 1520-6106 | 2019 | The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical | 123 | 29 | 6178-6187 |
| Racemization of oxazepam and chiral 1, 4-benzodiazepines. DFT study of the reaction mechanism in aqueous solution | Hok Lucija, Božičević Lucija, Sremec Helena, Šakić Davor, Vrček Valerije | 10.1039/C8OB02991A | 1477-0520 | 2019 | Organic & biomolecular chemistry | 17 | 1471-1479 | |
| Experimental and Computational Study of the Antioxidative Potential of Novel Nitro and Amino Substituted Benzimidazole/Benzothiazole- 2- Carboxamides with Antiproliferative Activity | Cindrić Maja, Sović Irena, Mioč Marija, Hok Lucija, Boček Ida, Roškarić Petra, Butković Kristina, Martin-Kleiner Irena, Starčević Kristina, Vianello Robert, Kralj Marijeta, Hranjec Marijana | 10.3390/antiox8100477 | 2019 | Antioxidants | 8 | 10 | - | |
| From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic Study | Tandarić Tana, Hok Lucija, Vianello Robert | 10.5562/cca3592 | 0011-1643 | 2019 | Croatica chemica acta | 92 | 2 | 287-295 |
| Divergent selection and genetic structure of Sideritis scardica populations from southern Balkan Peninsula as revealed by AFLP fingerprinting | Grdiša Martina, Radosavljević Ivan, Liber Zlatko, Stefkov Gjoshe, Ralli Parthenopi, Chatzopoulou Paschalina S., Carović-Stanko Klaudija, Šatović Zlatko | 10.1038/s41598-019-49097-x | 2045-2322 | 2019 | Scientific Reports | 9 | - | |
| Genetic and morphological data reveal new insights into the taxonomy of Campanula versicolor s.l. (Campanulaceae) | Janković Ivana, Šatović Zlatko, Liber Zlatko, Kuzmanović Nevena, Di Pietro Romeao, Radosavljević Ivan, Nikolov Zoran, Lakušić Dmitar | 10.1002/tax.12050 | 0040-0262 | 2019 | Taxon | 68 | 2 | 340-369 |
| Genetic diversity and structure of Fusarium oxysporum f.sp. lentis isolates from Iran, Syria and Algeria | Pouralibaba Hamid R., Šatović Zlatko, Cobos Maria Jose, Rubiales Diego, Fondevilla Sara | 10.1007/s10658-018-01617-7 | 0929-1873 | 2019 | European journal of plant pathology | 153 | 4 | 1019-1029 |
| Morphological, genetic and epigenetic aspects of homoploid hybridization between Salvia officinalis L. and Salvia fruticosa Mill. | Radosavljević Ivan, Bogdanović Sandro, Celep Ferhat, Filipović Maja, Satovic Zlatko, Surina Boštjan, Liber Zlatko | 10.1038/s41598-019-40080-0 | 2045-2322 | 2019 | Scientific Reports | 9 | 1 | 1-13 |
| Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potential | Miličević Ante, Miletić Goran I., Novak Jovanović Ivana | 10.1016/j.molliq.2019.04.128 | 0167-7322 | 2019 | Journal of molecular liquids | 285 | 551-556 | |
| Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potential (part II) | Miličević Ante, Miletić Goran I., Novak Jovanović Ivana | 10.1016/j.molliq.2019.111730 | 0167-7322 | 2019 | Journal of molecular liquids | 295 | - | |
| Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization Mechanism | Toma Mateja, Božičević Lucija, Lapić Jasmina, Djaković Senka, Šakić Davor, Tandarić Tana, Vianello Robert, Vrček Valerije | 10.1021/acs.joc.9b01944 | 0022-3263 | 2019 | Journal of organic chemistry | 84 | 19 | 12471-12480 |
| Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and Selegiline | Tandarić Tana, Vianello Robert | 10.1021/acschemneuro.9b00147 | 1948-7193 | 2019 | ACS Chemical Neuroscience | 10 | 8 | 3532-3542 |
| DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptides | Matić Josipa, Šupljika Filip, Tandarić Tana, Dukši Marko, Piotrowski Patryciusz, Vianello Robert, Brozović Anamaria, Piantanida Ivo, Schmuck Carsten, Radić Stojković Marijana | 10.1016/j.ijbiomac.2019 | 0141-8130 | 2019 | International journal of biological macromolecules | 134 | 422-434 | |
| Luminescent pyrenyl–GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cells | Kowalski Konrad, Skiba Joanna, Kowalczyk Aleksandra, Fik Marta Anna, Gapińska Magdalena, Trzybiński Damian, Wozniak Krzysztof, Vrček Valerije, Czerwieniec Rafał | 10.1039/C9PP00271E | 1474-905X | 2019 | Photochemical & photobiological sciences | 18 | 2449-2460 | |
| Gold-Induced Desulfurization in a Bis(ferrocenyl) Alkane Dithiol | Pensa Evangelina, Karpowicz Rafal, Jabłoński Artur, Trzybiński Damian, Woźniak Krzysztof, Šakić Davor, Vrček Valerije, Long Nicholas J., Albrecht Tim, Kowalski Konrad | 10.1021/acs.organomet.9b00175 | 0276-7333 | 2019 | Organometallics | 38 | 9 | 2227-2232 |
| Quinoline and ferrocene conjugates: Synthesis, computational study and biological evaluations | Maračić Silvija, Lapić Jasmina, Djaković Senka, Opačak-Bernardi Teuta, Glavaš-Obrovac Ljubica, Vrček Valerije, Raić-Malić Silvana | 10.1002/aoc.4628 | 0268-2605 | 2019 | Applied organometallic chemistry | 33 | 1 | e4628-e4628 |
| Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions | Lukin Stipe, Tireli Martina, Stolar Tomislav, Barišić Dajana, Blanco Maria Valeria, di Michiel Marco, Užarević Krunoslav, Halasz Ivan | 10.1021/jacs.8b12149 | 0002-7863 | 2019 | Journal of the American Chemical Society | 141 | 3 | 1212-1216 |
| Vector generation of contextual sets | Pavičić Mladen, Megill Norman D. | 2019 | EPJ Web of Conferences Volume 198 (2019) Quantum Technology International Conference 2018 (QTech 2018) | - | ||||
| Modulation Of Optical Properties With Multilayer Thickness In Antimonene And Indiene | Mužević Matko, Varga Pajtler Maja, Gupta Sanjeev Kumar, Lukačević Igor | 10.5185/amlett.2019.2220 | 0976-397X | 2019 | Advanced Materials Letters | 10 | 4 | 270-274 |
| Universality of size-energy ratio in four-body systems | Stipanović Petar, Vranješ Markić Leandra, Gudyma Andrii, Boronat Jordi | 10.1038/s41598-019-42312-9 | 2045-2322 | 2019 | Scientific Reports | 9 | 1 | 6289(1)-6289(8) |
| Automated generation of Kochen-Specker sets | Pavičić Mladen, Waegell Mordecai, Megill Norman D., Aravind P. K. | 10.1038/s41598-019-43009-9 | 2045-2322 | 2019 | Scientific Reports | 9 | 1 | - |
| Calculation of Apparent pKa Values of Saturated Fatty Acids with Different Lengths in DOPC Phospholipid Bilayers | Škulj Sanja, Vazdar Mario | 10.1039/C9CP01204D | 1463-9076 | 2019 | PCCP. Physical chemistry chemical physics | 21 | 19 | 10052-10060 |
| Revisited Mechanism of Reaction between a Model Lysine Amino Acid Side Chain and 4-Hydroxynonenal in Different Solvent Environments | Škulj Sanja, Vazdar Katarina, Margetić Davor, Vazdar Mario | 10.1021/acs.joc.8b02231 | 0022-3263 | 2019 | Journal of organic chemistry | 84 | 2 | 526-535 |
| Improving electron transport in the hybrid perovskite solar cells using CaMnO3-based buffer layer | Pandey Kavita, Singh Deobrat, Gupta Sanjeev Kumar, Yadav Pankaj, Sonvane Yogesh, Lukačević Igor, Kumar Manjeet, Kumar Manoj, Ahuja Rajeev | 10.1016/j.nanoen.2018.01.009 | 2211-2855 | 2018 | Nano Energy | 45 | 287-297 | |
| 2 H magic-angle spinning NMR and powder diffraction study of deuterated paramagnetic copper(II) glycinato complexes. Information on crystallographic symmetries, stereo-isomerism, and molecular mobility available from ssNMR spectra | Szalontai Gábor, Csonka Róbert, Kaizer József, Bombicz Petra, Sabolović Jasmina | 10.1016/j.ica.2017.05.071 | 0020-1693 | 2018 | Inorganica chimica acta | 472 | 320-329 | |
| Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 | Kovačević Borislav, Barić Danijela, Babić Darko, Bilić Luka, Hanževački Marko, Sandala Gregory M., Radom Leo, Smith David M. | 10.1021/jacs.8b03109 | 0002-7863 | 2018 | Journal of the American Chemical Society | 140 | 27 | 8487-8496 |
| Chlorination of 5-fluorouracil: Reaction mechanism and ecotoxicity assessment of chlorinated products | Hok Lucija, Ulm Lea, Tandarić Tana, Krivohlavek Adela, Šakić Davor, Vrček Valerije | 10.1016/j.chemosphere.2018.05.140 | 0045-6535 | 2018 | Chemosphere | 207 | 18 | 612-619 |
| Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase | Maršavelski Aleksandra, Petrović Dušan, Bauer Paul, Vianello Robert, Kamerlin Shina Caroline Lynn | 10.1021/acsomega.8b00346 | 2018 | ACS Omega | 3 | 4 | 3665-3674 | |
| Calibration of Source-Code Similarity Detection Tools for Objective Comparisons | Novak Matija, Kermek Dragutin, Joy Mike | 10.23919/MIPRO.2018.8400147 | 2018 | MIPRO 2018 - 41st International Convention | 794-799 | |||
| Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution | Tandarić Tana, Vianello Robert | 10.1021/acs.jpca.7b11945 | 1089-5639 | 2018 | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory | 122 | 5 | 1464-1471 |
| A DFT/PCM-based methodology for predicting solvolytic reactivities of organic carbonates | Matić Mirela, Denegri Bernard | 10.1039/C8OB00917A | 1477-0520 | 2018 | Organic & biomolecular chemistry | 16 | 25 | 4665-4674 |
| Mechanism of Mechanochemical C–H Bond Activation in an Azobenzene Substrate by Pd(II) Catalysts | Bjelopetrović Alen, Lukin Stipe, Halasz Ivan, Užarević Krunoslav, Đilović Ivica, Barišić Dajana, Budimir Ana, Juribašić Kulcsar Marina, Ćurić Manda | 10.1002/chem.201802403 | 0947-6539 | 2018 | Chemistry : a European journal | 24 | 42 | 10672-10682 |
| Benzoylguanidines as the Anion Responsive Systems | Glasovac Zoran, Barešić Luka, Antol Ivana, Margetić Davor | 2018 | ChemPlusChem | - | ||||
| Ferrocenyl GNA nucleosides: a bridge between organic and organometallic xeno-nucleic acids | Kowalski Konrad, Skiba Joanna , Yuan Qing, Hildebrandt Alexander, Trzybinski Damian, Wozniak Krzystof, Balogh Ria, Gyurcsik Bela, Vrček Valerije | 10.1002/cplu.201700551 | 2192-6506 | 2018 | ChemPlusChem | 83 | 2 | 77-86 |
| Disorder at the Chiral Cα Center and Room- Temperature Solid-State cis–trans Isomerization ; Synthesis and Structural Characterization of Copper(II) Complexes with D-allo, L-Isoleucine | Pejić Jelena, Vušak Darko, Szalontai Gábor, Prugovečki Biserka, Mrvoš-Sermek Draginja, Matković-Čalogović Dubravka, Sabolović Jasmina | https://pubs.acs.org/doi/10.1021/acs.cgd.8b00589 | 1528-7483 | 2018 | Crystal Growth & Design | 18 | 9 | 5138-5154 |
| Harmonically trapped Bose-Bose mixtures: a quantum Monte Carlo study | V. Cikojević , L. Markic Vranješ , J. Boronat | 10.1088/1367-2630/aad6cc | 1367-2630 | 2018 | New journal of physics | 20 | 085002 | - |
| Ultradilute quantum liquid drops | Cikojević Viktor, Dželalija Krešimir, Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1103/physrevb.97.140502 | 2469-9950 | 2018 | Physical Review B | 97 | 14 | - |
| Vector Generation of Quantum Contextual Sets in Even Dimensional Hilbert Spaces | Pavičić Mladen, Megill Norman D. | 10.3390/e20120928 | 1099-4300 | 2018 | Entropy (Basel. Online) | 20 | 12 | - |
| Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra | Bilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne | 10.1093/mnras/sty607 | 0035-8711 | 2018 | Monthly notices of the Royal Astronomical Society | 476 | 4 | 5358-5364 |
| Structure of Helium–Alkali Pentamers | Stipanović Petar, Vranješ Markić Leandra | 10.1007/s00601-018-1367-x | 0177-7963 | 2018 | Few-body systems | 59 | 3 | - |
| Ground-state characteristics of helium–alkali tetramers | Stipanović Petar, Vranješ Markić Leandra | 10.1088/1361-6455/aacb45 | 0953-4075 | 2018 | Journal of Physics B: Atomic, Molecular and Optical Physics | 51 | 15 | - |
| Structural and computational analysis of intermolecular interactions in a new 2- thiouracil polymorph | Fabijanić Ivana, Matković-Čalogović Dubravka, Pilepić Viktor, Sanković Krešimir | 10.1107/s205322961701542x | 2053-2296 | 2017 | Acta Crystallographica Section C-Structural Chemistry | 73 | 12 | 1078-1086 |
| New investigations of the guanine trichloro cuprate(II) complex crystal | Fabijanić Ivana, Matković-Čalogović Dubravka, Pilepić Viktor, Ivanišević Irena, Mohaček- Grošev Vlasta, Sanković Krešimir | 10.1016/j.molstruc.2016.08.069 | 0022-2860 | 2017 | Journal of molecular structure | 1128 | 317-324 | |
| Spin-dependent electron transport in C and Ge doped BN monolayers | Gupta Sanjeev K., He Haiying, Lukačević Igor, Pandey Ravindra | 10.1039/C7CP05596J | 1463-9076 | 2017 | PCCP. Physical chemistry chemical physics | 19 | 45 | 30370-30380 |
| Genetic Diversity of Croatian Common Bean Landraces | Carović-Stanko Klaudija, Liber Zlatko, Vidak Monika, Barešić Ana, Grdiša Martina, Lazarević Boris, Šatović Zlatko | 10.3389/fpls.2017.00604 | 1664-462X | 2017 | Frontiers in Plant Science | 8 | 604-1 | |
| Genetic diversity of the sweet chestnut (Castanea sativa Mill.) in central Europe and the western part of the Balkan Peninsula, and evidence of marron genotype introgression into wild populations | Poljak Igor, Idžojtić Marilena, Šatović Zlatko, Ježić Marin, Ćurković Perica Mirna, Simovski Bojan, Acevski Jane, Liber Zlatko | 10.1007/s11295-017-1107-2 | 1614-2942 | 2017 | Tree Genetics and Genomes | 1 | 13-1 | |
| Establishing the Bases for Introducing the Unexplored Portuguese Common Bean Germplasm into the Breeding World | Leitão Susana T., Dinis Marco, Veloso Maria M., Šatović Zlatko, Vaz Patto Maria C. | 10.3389/fpls.2017.01296 | 1664-462X | 2017 | Frontiers in Plant Science | 8 | 1296-1 | |
| New investigations of the guanine trichloro cuprate(II) complex crystal | Ivana Fabijanic, Dubravka Matkovic-Calogovic, Viktor Pilepic , Irena Ivanisevic, Vlasta Mohacek-Grosev, Kresimir Sankovic | 10.1016/j.molstruc.2016.08.069 | 2017 | Journal of Molecular Structure | 1128 | 317-324 | ||
| 1, 1'-Bis(thymine)ferrocene Nucleoside : Synthesis and Study of Its Stereoselective Formation | Kowalski Konrad, Anisimov Iurii, Salomon Sebastian, Hildebrandt Alexander, Lang Heinrich, Trzybinski Damian, Wozniak Krzysztof, Šakić Davor, Vrček Valerije | 10.1002/cplu.201700215 | 2192-6506 | 2017 | ChemPlusChem | 82 | 6 | 859-866 |
| Fluorescent benzimidazo[1, 2-a]quinolines: Synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity | Hranjec Marijana, Horak Ema, Babić Darko, Plavljanin Sanela, Srdović Zrinka, Murković Steinberg Ivana, Vianello Robert, Perin Nataša | 10.1039/C6NJ02268E | 1144-0546 | 2017 | New journal of chemistry | 41 | 1 | 358-371 |
| Novel pyrimidine-2, 4-dione-1, 2, 3-triazole and furo[2, 3-d]pyrimidine-2-one-1, 2, 3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation | Gregorić Tomislav, Sedić Mirela, Grbčić Petra, Tomljenović Paravić Andrea, Kraljević Pavelić Sandra, Cetina Mario, Vianello Robert, Raić-Malić Silvana | 10.1016/j.ejmech.2016.11.028 | 0223-5234 | 2017 | European journal of medicinal chemistry | 125 | 1247-1267 | |
| What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine | Maršavelski Aleksandra, Vianello Robert | 10.1002/chem.201605430 | 0947-6539 | 2017 | Chemistry : a European journal | 23 | 12 | 2915-2925 |
| Arbitrarily exhaustive hypergraph generation of 4-, 6-, 8-, 16-, and 32-dimensional quantum contextual sets | Pavičić Mladen | 10.1103/PhysRevA.95.062121 | 2469-9934 | 2017 | Physical Review A | 95 | 6 | - |
| Reversible Gas−Solid Ammonia N−H Bond Activation Mediated by an Organopalladium Complex | Juribašić Kulcsar Marina, Halasz Ivan, Budimir Ana, Užarević Krunoslav, Lukin Stipe, Monas Andrea, Emmerling Franziska, Plavec Janez, Ćurić Manda | 10.1021/acs.inorgchem.7b00422 | 0020-1669 | 2017 | Inorganic chemistry | 56 | 9 | 5342-5351 |
| Solvolytic Behavior of Aryl and Alkyl Carbonates. Impact of the Intrinsic Barrier on Relative Reactivities of Leaving Groups | Matić Mirela, Katić Matija, Denegri Bernard, Kronja Olga | 10.1021/acs.joc.7b00885 | 0022-3263 | 2017 | Journal of organic chemistry | 82 | 15 | 7820-7831 |
| New Classes of Kochen-Specker Contextual Sets | Megill Norman D., Pavičić Mladen | 2017 | Proceedings of The 40th International Convention on Information and Communication Technology, Electronics, and Microelectronics, May 22-26, 2017 | 195-200 | ||||
| Calculating the geometry and Raman spectrum of physiological bis(L-histidinato)copper(II): an assessment of DFT functionals for aqueous and isolated systems | Sabolović Jasmina, Ramek Michael, Marković Marijana | 10.1007/s00894-017-3448-z | 1610-2940 | 2017 | Journal of molecular modeling | 23 | 290-1 | |
| Pronounced conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical study | Ramek Michael, Marković Marijana, Loher Caludia, Sabolović Jasmina | 10.1016/j.poly.2017.06.041 | 0277-5387 | 2017 | Polyhedron | 135 | 121-133 | |
| Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteins | Babić Darko, Smith David M. | 10.1002/cem.2876 | 0886-9383 | 2017 | Journal of chemometrics | 31 | 3 | e2876-1 |
| Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study | Havaić Valentina, Djaković Senka, Lapić Jasmina, Weitner Tin, Šakić Davor, Vrček Valerije | 10.5562/cca3229 | 0011-1643 | 2017 | Croatica chemica acta | 90 | 4 | 589-594 |
| Missing Fe: hydrogenated iron nanoparticles | Bilalbegović Goranka, Maksimović Aleksandar, Mohaček-Grošev Vlasta | 10.1093/mnrasl/slw226 | 1745-3925 | 2017 | Monthly Notices of the Royal Astronomical Society | 466 | 1 | L14-L18 |
| Structure of Halo and Quasi-halo Helium–Helium– Alkali Trimers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1007/s00601-017-1288-0 | 0177-7963 | 2017 | Few-body systems | 58 | 123-1 | |
| Quantum Halo States in Helium Tetramers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1021/acs.jpca.6b10656 | 1089-5639 | 2017 | Journal of Physical Chemistry A | 121 | 1 | 308-314 |
| Ground-state properties of weakly bound helium- alkali trimers | Stipanović Petar, Vranješ Markić Leandra, Zarić Darko, Boronat Jordi | 10.1063/1.4973381 | 0021-9606 | 2017 | The Journal of chemical physics | 146 | 014305-1 | |
| Genetic diversity and morphological variability in the Balkan endemic Campanula secundiflora s.l. (Campanulaceae) | Janković Ivana, Šatović Zlatko, Liber Zlatko, Kuzmanović Nevena, Radosavljević Ivan, Lakušić Dmitar | 10.1111/boj.12359 | 0024-4074 | 2016 | Botanical Journal of the Linnean Society | 180 | 1 | 64-88 |
| Characterizing Croatian Wheat Germplasm Diversity and Structure in a European Context by DArT Markers | Novoselović Dario, Bentley Alison R., Šimek Ruđer, Dvojković Krešimir, Sorrells Mark E., Gosman Nicolas, Horsnell Richard, Drezner Georg, Šatović Zlatko | 10.3389/fpls.2016.00184 | 1664-462X | 2016 | Frontiers in Plant Science | 7 | 184-1 | |
| Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands | Škalamera Đani, Sanders Ernest, Vianello Robert, Maršavelski Aleksandra, Pevec Andrej, Turel Iztok, Kirin Srećko I. | 10.1039/C5DT03387J | 1477-9226 | 2016 | Dalton transactions | 45 | 7 | 2845-2858 |
| The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands | Kržan Mojca, Vianello Robert, Maršavelski Aleksandra, Repič Matej, Zakšek Maja, Kotnik Kristina, Fijan Estera, Mavri Janez | 10.1371/journal.pone.0154002 | 1932-6203 | 2016 | PLoS One | 11 | e0154002-e0154002 | |
| 15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases | Schwamm Ryan J., Vianello Robert, Maršavelski Aleksandra, García M. Ángeles, Claramunt Rosa M., Alkorta Ibon, Saame Jaan, Leito Ivo, Fitchett Christopher M., Edwards Alison J., Coles Martyn P. | 10.1021/acs.joc.6b01330 | 0022-3263 | 2016 | Journal of organic chemistry | 81 | 17 | 7612-7625 |
| Quantum Chemical Study of HOCl-Induced Transformations of Carbamazepine | Tandarić Tana, Vrček Valerije, Šakić Davor | 10.1039/C6OB02166B | 1477-0520 | 2016 | Organic & biomolecular chemistry | 14 | 10866-10874 | |
| Tuning Ag29 nanocluster light emission from red to blue with one and two-photon excitation | Russier-Antoine, Isabelle; Bertorelle, Franck; Hamouda, Ramzi.; Rayane, Driss; Dugourd, Philippe; Sanader, Željka; Bonačić-Koutecký, Vlasta; Brevet, Pierre-Francois; Antoine, Rodolphe | 10.1039/C5NR08122J | 2016 | Nanoscale | 8 | 2892-2898 | ||
| Two-photon absorption of ligand-protected Ag15 nanoclusters. Towards a new class of nonlinear optics nanomaterials | Sanader, Zeljka; Krstic, Marjan; Russier-Antoine, Isabelle; Bertorelle, Franck; Dugourd, Philippe; Brevet, Pierre-François; Antoine, Rodolphe; Bonačić-Koutecký, Vlasta | 10.1039/C6CP00207B | 2016 | Physical Chemistry Chemical Physics | 18 | 12404-12408 | ||
| The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes | Vianello Robert, Domene Carmen, Mavri Janez | 10.3389/fnins.2016.00327 | 1662-453X | 2016 | Frontiers in Neuroscience | 10 | - | |
| Vapour-induced solid-state C–H bond activation for the clean synthesis of an organopalladium biothiol sensor | Monas Andrea, Užarević Krunoslav, Halasz Ivan, Juribašić Kulcsar Marina, Ćurić Manda | 10.1039/c6cc06062e | 1359-7345 | 2016 | Chemical communications | 52 | 88 | 12960-12963 |
| The role of negative hyperconjugation in decomposition of bicarbonate and organic carbonate anions | Denegri Bernard, Matić Mirela, Kronja Olga | 10.1002/slct.201601357 | 2365-6549 | 2016 | ChemistrySelect | 1 | 16 | 5250-5259 |
| Classical Logic and Quantum Logic with Multiple and Common Lattice Models | Pavičić Mladen | 10.1155/2016/6830685 | 1687-9120 | 2016 | Advances in Mathematical Physics | 2016 | 6830685-1 | |
| Massive Generation of Contextual Quantum Sets | Pavičić Mladen. | 2016 | EMN Meeting on Quantum Communication and Quantum Imaging-2016 Program & Abstracts | 28-29 | ||||
| The Important Role of the Hydroxyl Group on the Conformational Adaptability in Bis(L-threoninato)copper(II) Compared to Bis(L-allo-threoninato)copper(II): Quantum Chemical Study | Marković Marijana, Ramek Michael, Loher Claudia, Sabolović Jasmina | 10.1021/acs.inorgchem.6b01157 | 0020-1669 | 2016 | Inorganic chemistry | 55 | 15 | 7694-7708 |
| Elusive structure of helium trimers | Stipanović Petar, Vranješ Markić Leandra, Boronat Jordi | 10.1088/0953-4075/49/18/185101 | 0953-4075 | 2016 | Journal of physics. B, Atomic molecular and optical physics | 49 | 18 | 185101-1 |
| Solidification of He-4 clusters adsorbed on graphene | Vranješ Markić Leandra, Stipanović Petar, Bešlić Ivana, Zillich Robert E. | 10.1103/PhysRevB.94.045428 | 2469-9950 | 2016 | Physical Review B | 94 | 4 | 045428-1 |
| The DFT local reactivity descriptors of alpha-tocopherol | Fabijanić Ivana, Jakobušić Brala Cvijeta, Pilepić Viktor | 10.1007/s00894-015-2644-y | 1610-2940 | 2015 | Journal of molecular modeling | 21 | 99-1 | |
| Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study | Brkić, Hrvoje; Kovačević, Borislav; Tomić, Sanja | 2015 | Molecular biosystems | 11 | 898-907 | |||
| Causes and consequences of contrasting genetic structure in sympatrically growing and closely related species | Radosavljević Ivan, Šatović Zlatko, Liber Zlatko | 10.1093/aobpla/plv106 | 2041-2851 | 2015 | AoB Plants | 7 | plv106-1 | |
| The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase | Maršavelski Aleksandra, Močibob Marko, Gruić- Sovulj Ita, Vianello Robert | 10.1039/C5CP03066H | 1463-9076 | 2015 | Physical Chemistry Chemical Physics | 17 | 29 | 19030-19038 |
| Supramolecular Ionic-Liquid Gels with High Ionic Conductivity | Maršavelski Aleksandra, Smrečki Vilko, Vianello Robert, Žinić Mladen, Moguš-Milanković Andrea, Šantić Ana | 10.1002/chem.201500887 | 0947-6539 | 2015 | Chemistry : a European journal | 21 | 34 | 12121-12128 |
| Mechanochemical reactions studied by in situ Raman spectroscopy : base catalysis in liquid-assisted grinding | Tireli Martina, Juribašić Kulcsar Marina, Cindro Nikola, Gracin Davor, Biliškov Nikola, Borovina Mladen, Ćurić Manda, Halasz Ivan, Užarević Krunoslav | 10.1039/c5cc01915j | 1359-7345 | 2015 | Chemical communications | 51 | 38 | 8058-8061 |
| A comparison of force fields for ethanol-water mixtures | Mijaković M., Polok K., Kežić B., Sokolić F., Perera A., Zoranić L. | 0892-7022 | 2014 | Molecular Simulation | 1029-0435 | |||
| A New Ant Colony Optimization Algorithm: Three Bound Ant System | Ivkovic N., Golub M. | 0302-9743 | 2014 | 9th International Conference, ANTS 2014, Brussels, Belgium, September 10-12, 2014. Proceedings Series: Lecture Notes in Computer Science | 8667 | 280-281 | ||
| Acetamide as the Model of the Peptide Bond: Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon Matrix | Eckert-Maksić M., Antol I., Vazdar M. | 10.1016/j.comptc.2014.02.025 | 2014 | Computational and Theoretical Chemistry | 1040-1041 | 136-143 | ||
| Aging and Ball Milling as Low-Energy and Environmentally-Friendly Methods for the Synthesis of Pd(II) Photosensitizers | Juribašić M., Halasz I., Babić D., Cinčić D., Plavec J., Ćurić M. | 2014 | Journal: Organometallics; Conference: Hot Topics in Contemporary Crystallography 2014, HTCC2014, Šibenik, Hrvatska, 10.-15.5.2014. | 33 | 5 | 1227-1234 | ||
| Chlorination of N-Methylacetamide and Amide-Containing Pharmaceuticals. Quantum-Chemical Study of the Reaction Mechanism | Šakić D., Šonjić P., Tandarić T., Vrček V. | 2014 | The journal of physical chemistry A. | 118 | 12 | 2367-2376 | ||
| Computational study of the IRES subdomain IIa structural plasticity and the ligand binding affinity | M. Grabar Branilović, S. Tomić | 2014 | Chemistry towards Biology 7th Central European Conference - Book of Abstracts / Jarzembek, Krystyna (ur.) (ur.). Katowice, Poljska (poster, međunarodna recenzija, sažetak, znanstveni) | P10-P10 | ||||
| Computational study of the structural plasticity and the ligand binding affinity of the IRES subdomain IIa | M. Grabar Branilović, S. Tomić | 10.1039/c4mb00469h | 1742-206X | 2014 | Molecular biosystems | 10 | 12 | 3272-3279 |
| Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations | J.F. Kögel, N.C. Abacılar, F. Weber, B. Oelkers, K. Harms, B. Kovačević, J. Sundermeyer | 2014 | Chemistry - A European Journal | 20 | 20 | 5994-6009 | ||
| Cyclopropenimine as a hydrogen bond acceptor—towards the strongest non-phosphorus superbases | D. Barić, I. Dragičević, B. Kovačević | 2014 | Tetrahedron | 70 | 25 | 8571-8576 | ||
| Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation | B. Kovačević, P. Schorr, Y. Qi, D.A. Volmer | 2014 | Journal of The American Society for Mass Spectrometry | 25 | 11 | 1974-1986 | ||
| Do cement nanoparticles exist in space? | G. Bilalbegović, A. Maksimović, V. Mohaček-Grošev | 10.1093/mnras/stu869 | 0035-8711 | 2014 | Monthly Notices of the Royal Astronomical Society | 442 | 1319-1325 | |
| Effect of Intramolecular Hydrogen Bonds on the Gas-phase Basicity of Guanidines | Glasovac, Z., Eckert-Maksić M. | 10.1071/CH14182 | 0004-9425 | 2014 | Australian journal of chemistry | 67 | 7 | 1056-1062 |
| Eksperimentalno utemeljeno modeliranje interakcija nukleinskih kiselina i malih molekula | M. Grabar Branilović | 2014 | PhD Thesis | |||||
| Guanidine and guanidinium cation in the excited state—theoretical investigation | Antol I., Glasovac Z., Crespo-Otero R., Barbatti M. | 10.1063/1.4892569 | 0021-9606 | 2014 | The journal of chemical physics | 141 | 7 | 074307-1-10 |
| Mechanochemical C–H Bond Activation: Rapid and Regioselective Double Cyclopalladation Monitored by in situ Raman Spectroscopy | Juribašić M., Užarević K., Gracin D., Ćurić M., | 2014 | Chemical communications | 50 | 71 | 10287-10290 | ||
| Memory of chirality in the phthalimide photocyclization of adamantane dipeptides | Šumanovac Ramljak T., Sohora M., Antol I., Kontrec D., Basarić N., Mlinarić-Majerski K. | 10.1016/j.tetlet.2014.05.118 | 2014 | Tetrahedron letters | 55 | 4078-4081 | ||
| A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologue | Maršavelski Aleksandra, Lesjak Sonja, Močibob Marko, Weygand-Đurašević Ivana, Tomić Sanja | 10.1039/C4MB00416G | 1742-206X | 2014 | Molecular biosystems | 10 | 12 | 3207-3216 |
| Solid-State NMR Characterization of Paramagnetic Bis(L-valinato)copper(II) Stereoisomers – Effect of Conformational Disorder and Molecular Mobility on 13C and 2H Fast Magic-Angle Spinning Spectra | Szalontai G., Sabolović J., Marković M., Balogh S. | 10.1002/ejic.201300746 | 1099-0682 | 2014 | European journal of inorganic chemistry | 2014 | 3330-3340 | |
| Structure, defects, and strain in silicon-silicon oxide interfaces | Kovacevic G., Pivac B. | 10.1063/1.4862809 | 2014 | Journal of Applied Physics | 115 | 4 | ||
| Sulfur-bearing species in molecular clouds | G. Bilalbegović, G. Baranović | 10.1093/mnras/stu2313 | 0035-8711 | 2014 | Monthly Notices of the Royal Astronomical Society (MNRAS) | 446 | 3 | 3118-3129 |
| Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry | J.F. Kögel, X. Xie, E. Baal, D. Gesevičius, B. Oelkers, B. Kovačević, J. Sundermeyer | 2014 | Chemistry - A European Journal | 20 | 25 | 7670-7685 | ||
| Supramolecular stabilization of metastable tautomers in solution and solid state. | Juribašić M., Bregović N., Stilinović V., Tomišić V., Cindrić M., Šket P., Plavec J., Rubčić M., Užarević K. | 10.1002/chem.201403543 | 2014 | Chemistry : a European journal. | ||||
| The average local ionization energy and Fukui function of L-ascorbate, the local reactivity descriptors of antioxidant reactivity | C. Jakobušić Brala, I. Fabijanić, A. Karković Marković, V. Pilepić | 10.1016/j.comptc.2014.09.008 | 2014 | Computational and Theoretical Chemistry | 1049 | 01.lip | ||
| The Stability of Nitrogen-Centered Radicals, Organic & biomolecular chemistry | Hioe J., Šakić D., Vrček V., Zipse H. | 2014 | 1 | 1 | 01.sij | |||
| Universality in molecular halo clusters | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | 10.1103/PhysRevLett.113.253401 | 2014 | Physical Review Letters | 113 | 25 | 253401 - 253405 | |
| Vibrational Analysis of 3-Glycidoxypropyltrimethoxysilane Polymer | Movre Šapić I., Bistričić L., Volovšek V., Dananić V. | 10.1002/masy.201300145 | 1521-3900 | 2014 | Macromolecular Symposia | 339 | 1 | 122-129 |
| Why does the coordination mode of physiological bis(L-histidinato)copper(II) differ in the gas phase, crystal lattice and aqueous solutions? A quantum chemical study | Marković, M., Ramek M., Sabolović J. | 10.1002/ejic.201300746 | 1099-0682 | 2014 | European journal of inorganic chemistry | 2014 | 1 | 198-212 |
| A DFT-based model for calculating solvolytic reactivity. The nucleofugality of aliphatic carboxylates in terms of Nf parameters | Denegri Bernard, Matić Mirela, Kronja Olga | 10.1039/C4OB00563E | 1477-0520 | 2014 | Organic & biomolecular chemistry | 12 | 30 | 5698-5709 |
| Obtaining massive data sets for contextual experiments in quantum information | Pavičić Mladen | 2014 | Information and Communication Technology, Electronics and Microelectronics (MIPRO), 2014 37th International Convention on. | 332-335 | ||||
| 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Stipanović, Petar; Bešlić, Ivana; Zillich, Robert E. | 10.1103/PhysRevB.88.125416 | 2013 | Physical Review B | 88 | 12 | 125416-1 - 125416-13 | |
| A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton | Kögel J.F., Oelkers B., Kovačević B., Sundermeyer J. | 2013 | Journal of the American Chemical Society | 35 | 47 | 17768-17774 | ||
| Atropisomerism in 1-(2-Adamantyl)naphthalene Derivatives | Veljković J., Antol I., Basarić N., Smrečki V., Molčanov K., Müller N., Mlinarić-Majerski K. | 10.1016/j.molstruc.2013.04.027 | 2013 | Journal of molecular structure | 1046 | 101-109 | ||
| Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds | Barić D., Dragičević I., Kovačević B. | 2013 | Journal of organic chemistry | 78 | 8 | 4075-4082 | ||
| Dibenzotetraaza[14]annulene – adenine conjugate recognizes complementary poly dT among ss-DNA / ss-RNA sequences | M. Radić Stojković, M. Škugor, S. Tomić, M. Grabar, V. Smrečki, L. Dudek, J. Grolik, J. Eilmes, Julita, I. Piantanida | 10.1039/c3ob40519b | 1477-0520 | 2013 | Organic & biomolecular chemistry | 11 | 24 | 4077-4085 |
| Glycolaldehyde dimer in the stable crystal phase has axial OH groups:Raman, infrared and X-ray data analysis | V. Mohaček-Grošev , B. Prugovečki, S. Prugoveč, N. Strukan | 10.1016/j.molstruc.2013.05.006 | 0022-2860 | 2013 | Journal of Molecular Structure | 1047 | 209-215 | |
| Mechanisms and reaction-path dynamics of hydroxyl radical reactions with aromatic hydrocarbons: The case of chlorobenzene | Kovacevic G., Sabljic A. | 10.1016/j.chemosphere.2013.04.041 | 0045-6535 | 2013 | Chemosphere | 92 | 7 | 851–856 |
| Neighboring Effect in Fragmentation Pathways of Cage 2 Guanylhydrazones in the Gas Phase | Šekutor M., Glasovac Z., Mlinarić-Majerski K. | 10.1021/jp311049f | 1089-5639 | 2013 | Journal of physical chemistry. A. | 117 | 10 | 2242-2252 |
| Non-heme iron dependent enzymes – understanding transport of iron cation in acetylacetone dioxygenase from Acinetobacter johnsoii | Tomić S., Brkić H., Straganz G., Buongiorno D. | 0175-7571 | 2013 | European Biophys. J. | 42 | 1 | 814 | |
| Observed bands in Raman and infrared spectra of 1,3-dioxolane and their assignments | V. Mohaček-Grošv, K. Furić, H. Ivanković | 10.1016/j.vibspec.2012.11.007 | 0924-2031 | 2013 | Vibrational Spectroscopy | 64 | 101-107 | |
| Photodeactivation paths in norbornadiene | Antol I. | 10.1002/jcc.23270 | 2013 | Journal of computational chemistry | 34 | 17 | 1439-1445 | |
| Proteini i nukleinske kiseline u vremenu i prostoru | S. Tomić, H. Brkić, M. Grabar Branilović, A. Tomić, B. Bertoša, M. Šikić | 2013 | Bioinformatics and biological physics: proceedings of the scientific meeting/ V. Paar (ur.); Zagreb, Hrvatska akademija znanosti i umjetnosti (pozvano predavanje, domaća recenzija, objavljeni rad) | 149-157 | ||||
| Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor | M. Pavlin, J. Mavri, M. Repič, R. Vianello | 2013 | Journal of Neural Transmission | 120 | 875–882 | |||
| Study of lipophilicity and membrane partition of 4-hydroxycoumarins by HPLC and PCA | Ilijaš M., Malnar I., Gabelica Marković V., Stepanić V. | 2013 | J. Pharm. Biomed. Anal. | 76 | 104-111 | |||
| The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides | M. Grabar Branilović, S. Tomić, L.-M. Tumir, I. Piantanida | 10.1039/C3MB25578F | 1742-206X | 2013 | Molecular biosystems | 9 | 8 | 2051-2062 |
| The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine | Achrainer F., Šakić D., Vrček V., Zipse H. | 2013 | Organic & biomolecular chemistry | 11 | 25 | 4232-4239 | ||
| Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzene | Kovacevic G., Sabljic A. | 10.1002/jcc.23175 | 1096-987X | 2013 | Journal of Computational Chemistry | 34 | 8 | 646–655 |
| Toward Extension of the Gas-Phase Basicity Scale by Novel Pyridine Containing Guanidines | Glasovac Z., Pavošević F., Štrukil V., Eckert-Maksić M., Schlangen M., Kretschmer R. | 10.1016/j.ijms.2013.06.012 | 1387-3806 | 2013 | International journal of mass spectrometry | 354/355 | 113-122 | |
| Universality of atomic quantum halo clusters | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | 2013 | MBT17 XVII. International conference on recent progress in many-body theories | 56 | ||||
| Univerzalnost atomskih kvantnih halo klastera | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi | 978-953-7178-15-4 | 2013 | 8. znanstveni sastanak HFD-a | 121 | |||
| Dicyclopalladated Complexes of Asymmetrically Substituted Azobenzenes: Synthesis, Kinetics and Mechanisms | Juribašić Marina, Budimir Ana, Kazazić Snježana, Ćurić Manda | 10.1021/ic402017v | 0020-1669 | 2013 | Inorganic chemistry | 52 | 21 | 12749-12757 |
| Adsorption of 4HeN and 4HeN3He Clusters on Cesium | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea | 10.1007/s10909-011-0406-5 | 0022-2291 (print) / 1573-7357 (online) | 2012 | Journal of low temperature physics | 166 | 01.vlj | 68-79 |
| Computational Study of Radical Derived from Hydroxyurea and Its Methylated Analogues | Vinković Vrček I., Šakić D., Vrček V., Zipse H., Biruš M. | 2012 | Organic & biomolecular chemistry | 10 | 6 | 1196-1206 | ||
| Dke1 – Structure, Dynamics and Function, A Theoretical and Experimental Study Elucidated the Role of the Binding Site Shape and the H-Bonding Network in Catalysis | H. Brkić, D. Buongiorno, M. Ramek, G. Straganz, S. Tomić | 10.1007/s00775-012-0898-8 | 0949-8257 | 2012 | Journal of biological inorganic chemistry | 17 | 5 | 801-815 |
| Interplay of crystallography and modelling in studying biological macromolecules | Tomić S., Abramić M., Brkić H., Tomić A. | 978-953-154-157-2 | 2012 | Conference: Kristalografija u Hrvatskoj | 129 - 137 | |||
| Kinetic differentiation between homo- and alternating AT-DNA by sterically restricted phosphonium dyes | L.-M. Tumir, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova, M. Grabar Branilović, S. Tomić, I. Piantanida | 10.1002/chem.201102968 | 0947-6539 | 2012 | Chemistry : a European journal | 18 | 13 | 3859-3864 |
| Liquid and solid 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E. | 2012 | International Conference on Quantum Fluids and Solids 2012 | P4.33 | ||||
| Method for Estimating SN1 Rate Constants: Solvolytic Reactivity of Benzoates | Matić M., Denegri B., Kronja O. | 2012 | J. Org. Chem. | 77 | 8986−8998 | |||
| Molecular modeling of nucleic acid - small molecule interactions | S. Tomić, M. Grabar Branilović, I. Piantanida | 2012 | Book of Abstracts Regional Biophysical Conference 2012 / Zakrzewska, Joanna, Živić, Miroslav, Andjus, Pavle (ur.). Beograd, Srbija : Društvo biofizičara Srbije (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) | 13-13 | ||||
| Molecular Modelling Of Copper(II) Complexes With Amino Acids In Vacuum, Crystal, And In Aqueous Solution | Marković M. | 2012 | PhD Thesis | |||||
| Prereactive complexes in chlorination of benzene, triazine, and tetrazine. A quantum chemical study | Šakić D., Vrček V. | 2012 | Journal of physical chemistry A. | 116 | 4 | 1298-1306 | ||
| QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents | Antol I., Eckert-Maksić M., Vazdar M., Ruckenbauer M., Lischka H. | 10.1039/C2CP41830D | 2012 | Physical Chemistry Chemical Physics | 14 | 38 | 13262-13272 | |
| Ring strain and other factors governing the basicity of nitrogen heterocycles – an interpretation by triadic analysis | N. Radić, I. Despotović, R. Vianello | 2012 | Croatica Chemica Acta | 85 | 495–504 | |||
| Structural effects responsible for stability and solvolytic reactivity of sulfonium ions | Jurić S., Denegri B., Kronja O. | 2012 | J. Phys. Org. Chem. | 25 | 147−152 | |||
| Tebrophen - an old polyphenol drug with anticancer potential | Rubelj, I., Stepanić, V., Jelić, D., Vidaček, N.Š., Kalajžić, A.Ć., Ivanković, M., Nujić, K., Matijašić, M., Verbanac, D. | 2012 | Molecules | 17 | 7864-7886 | |||
| New Algorithms for Generating Arbitrary Kochen-Specker Sets | Megill Norman D., Pavičić Mladen | 2012 | Bulletin of the American Physical Society, APS March Meeting 2012, Volume 57, Number 1 | Z30.00011-Z30.00011 | ||||
| 4He clusters adsorbed on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert | 2011 | The 26th International Conference on Low Temperature Physics (LT26) | 349 | ||||
| A Pheromone Trails Model for MAX-MIN Ant System | Ivković N., Golub M., Maleković M. | 978-2-9539267-1-2 | 2011 | 10th Biennal International Conference on Artificial Evolution, Angers, Francuska, October 24-26, 2011 | 35-46 | |||
| Adsorpcija klastera 4HeN i 4HeN3He na površini cezija | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea | 978-953-7178-20-8 | 2011 | 7. znanstveni sastanak HFD-a | 109 | |||
| Adsorption of 4HeN and 4HeN3He clusters on cesium | Stipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinic, Tea | 2011 | The 26th International Conference on Low Temperature Physics (LT26) | 346 | ||||
| Adsorption of helium clusters on graphene | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E | 2011 | Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications | 12 | ||||
| Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study | Šakić D., Zipse H., Vrček V. | 2011 | Organic & biomolecular chemistry. | 9 | 11 | 4336-4346 | ||
| Extended Trail Reinforcement Strategies for Ant Colony Optimization | Ivković N., Maleković M., Golub M. | 10.1007/978-3-642-27172-4_78 | 0302-9743 | 2011 | Second International Conference, SEMCCO 2011, Visakhapatnam, Andhra Pradesh, India, December 19-21, 2011, Proceedings, Part I, Lecture Notes in Computer Science | 7076 | 1 | 662-669 |
| Ground state of small mixed helium and spin-polarized tritium clusters : A quantum Monte Carlo study | Stipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi; Kezić, Bernarda | 10.1063/1.3530837 | 2011 | The Journal of chemical physics | 134 | 5 | 054509-1 - 054509-8 | |
| Guanidiniocarbonyl-pyrrole-aryl conjugates as nucleic acid sensors: switch of binding mode and spectroscopic responses by introducing additional binding sites into the linker | K. Groger, D. Baretić, I. Piantanida, M. Marjanović, M. Kralj, M. Grabar, S. Tomić, C. Schmuck | 10.1039/C0OB00103A | 1477-0520 | 2011 | Organic & biomolecular chemistry | 9 | 1 | 198-209 |
| Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers | Dörr F.A., Kovačević B., Maksić Z.B., Pinto E., Volmer D.A. | 2011 | Journal of the American Society for Mass Spectrometry | 22 | 11 | 2011-2020 | ||
| Kinetics and Mechanism of Oxidation of Hydroxyurea Derivatives with Hexacyanoferrate(III) in Aqueous Solution | Budimir A., Weitner T., Kos I., Šakić D., Gabričević M., Bešić E., Biruš M. | 2011 | Croatica chemica acta. | 84 | 2 | 133-147 | ||
| Molecular modeling of new permanently charged phenanthridinium-nucleobase conjugates in complexes with double stranded polynucleotides | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida | 2011 | Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists - Book of Abstracts / Yáñez, Manuel ; Mó, Otilia (ur.). Santiago de Compostela (poster, međunarodna, recenzija, sažetak, znanstveni) | PII 017 | ||||
| Osnovno stanje klastera 4He adsorbiranih na grafenu | Vranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, E. Robert | 978-953-7178-20-8 | 2011 | 7. znanstveni sastanak HFD-a | 90 | |||
| Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state. Inverted PI_N―SIGMA_N occupational stability of amidyl radicals | Naumov P., Topcu Y., Eckert-Maksić M., Glasovac Z., Pavošević F., Manoj K., Hara H. | 10.1021/jp203771c | 1089-5639 | 2011 | Journal of Physical Chemistry | 115 | 26 | 7834-7848 |
| Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations | V. Mohaček Grošev, B. Foretić, O. Gamulin | 10.1016/j.saa.2011.01.012 | 1386-1425 | 2011 | Spectrochimica Acta A Molecular and Biomolecular Spectroscopy | 78 | 1376-1379 | |
| New Insight into Solid-State Molecular Dynamics: Mechanochemical Synthesis of Azobenzene/Triphenylphosphine Palladacycles | Cinčić Dominik, Juribašić Marina, Babić Darko, Molčanov Krešimir, Šket Primož, Plavec Janez, Ćurić Manda | 10.1039/c1cc15377c | 1359-7345 | 2011 | Chemical communications | 47 | 41 | 11543-11545 |
| Probabilistic Generation of Quantum Contextual Sets | Megill Norman D., Fresl Krešimir, Waegell Mordecai, Aravind P.K., Pavičić Mladen | 10.1016/j.physleta.2011.07.050 | 0375-9601 | 2011 | Physics letters. A | 375 | 39 | 3419-3424 |
| Kochen-Specker Sets and Generalized Orthoarguesian Equations | Megill Norman D., Pavičić Mladen | 10.1007/s00023-011-0109-0 | 1424-0637 | 2011 | Annales henri poincare | 12 | 7 | 1417-1429 |
| New Class of 4-Dim Kochen-Specker Sets | Pavičić Mladen, Megill Norman. D., Aravind Padmanabhan K., Waegell Mordecai | 10.1063/1.3549586 | 0022-2488 | 2011 | Journal of mathematical physics | 52 | 2 | 022104-1 |
| Parity proofs of the Bell-Kochen-Specker theorem based on the 600-cell | Waegell Mordecai, Aravind P.K., Megill Norman D., Pavičić Mladen | 10.1007/s10701-011-9534-7 | 0015-9018 | 2011 | Foundations of physics | 41 | 5 | 883-904 |
| Proofs of the Kochen-Specker theorem based on the 600-cell | Aravind P.K., Waegell Mordecai, Megill Norman, Pavičić Mladen | 2011 | Bulletin of the American Physical Society, APS March Meeting 2011 Volume 56, Number 2 Monday–Friday, March 21–25, 2011 ; Dallas, Texas | J29.00002-J29.00002 | ||||
| Experimental and DFT study of 2-ferrocenylpropan-2-ol cyclodimerization products | Lapić J., Cetina M., Šakić D., Djaković S., Vrček V., Rapić V. | 2010 | Arkivoc. | 11 | 9 | 257-268 | ||
| Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and Dynamics | Eckert-Maksić M., Antol I., Vazdar M., Barbatti M., Lischka H. | 978-90-481-3033-7 | 2010 | Kinetics and Dynamics: From Nano- to Bio-Scale / Paneth, P.; Dybala-Defratyka, A. (ur.). Netherlands : Springer | 77-107 | |||
| Ground-state properties of small mixed helium and spin-polarized tritium clusters | Stipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi | 2010 | QFS2010 : International Symposium on Quantum Fluids and Solids | 112 | ||||
| Interaction of phosphonium cyanine dyes with DNA | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova | 2010 | Abstracts of the Fourth Humboldt Conference on Computational Chemistry / Petrova, P. Galina ; Vayssilov, N. Georgie (ur.). Sofia (poster, međunarodna recenzija, sažetak, znanstveni) | 62 | ||||
| Molecular modelling of phosphonium cyanine dyes in complex with DNA | M. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac | 2010 | Book of Abstracts of the The 5th Central European Conference - Chemistry towards Biology; Zagreb, IRB (poster, međunarodna recenzija, sažetak, znanstveni) | 85 | ||||
| Nuclear Magnetic Resonance Parameters of Water Hexamers | Bilalbegović G. | 2010 | J. Phys. Chem. A | 114 | 2 | 715-720 | ||
| Optical spectrum of proflavine and its ions | Bonaca A., Bilalbegović G. | 2010 | Chemical physics letters | |||||
| Polycyano derivatives of some organic tri– and hexacyclic molecules are powerful super– and hyperacids in the gas phase and DMSO: computational study by DFT approach | R. Vianello, Z. B. Maksić | 2010 | Journal of Organic Chemistry | 22 | 7670–7681 | |||
| Unusual azobenzene/bipyridine palladacycles: structural, dynamical, photophysical and theoretical studies | Juribašić Marina, Ćurić Manda, Molčanov Krešimir, Matković-Čalogović Dubravka, Babić Darko | 10.1039/C0DT00018C | 1477-9226 | 2010 | Dalton transactions | 39 | 37 | 8769-8778 |
| Hilbert Lattice Equations | Megill Norman D., Pavičić Mladen | 10.1007/s00023-009-0019-6 | 1424-0637 | 2010 | Annales Henri Poincaré | 10 | 7 | 1335-1358 |
| Graph Approach to Quantum Systems | Pavičić Mladen, McKay Brendan D., Megill Norman D., Fresl Krešimir | 10.1063/1.3491766 | 0022-2488 | 2010 | Journal of mathematical physics | 51 | 10 | 102103-1 |
| New Kochen-Specker Sets in Four Dimensions | Pavičić Mladen, Megill Norman D., Merlet Jean-Pierre | 10.1016/j.physleta.2010.03.019 | 0375-9601 | 2010 | Physics letters. A | 374 | 21 | 2122-2128 |
| Acidifying Effect of an N–Oxide group – A Useful Motif in Enhancing Acidity towards Superacidic Values | R. Vianello | 2009 | Croat. Chem. Acta | 82 | 27–39 | |||
| Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations | Glasovac Z., Eckert-Maksić M. , Maksić Z.B. | 2009 | New J. Chem. | 33 | 588–597 | |||
| Chlorination of ammonia and aliphatic amines by Cl2: DFT study of medium and substituent effects | Vrček V., Meštrić H. | 2009 | J. Phys. Org. Chem. | 22 | 59–68 | |||
| Coordination chemistry of nickel(II) nitrate with superbasic guanidines as studied by electrospray mass spectrometry | Glasovac Z., Štrukil V., Eckert-Maksić M., Schroeder D., Schlangen M., Schwarz H. | 2009 | International Journal of Mass Spectrometry | |||||
| Difuzne spektralne vrpce međuzvjezdane tvari: optički spektar proflavina | Bonaca A. | 2009 | Link | |||||
| Klasteri helija adsorbirani na površini cezija | Stipanović, Petar; Martinić, Tea; Vranješ Markić, Leandra | 978-953-7178-12-3 | 2009 | 6. znanstveni sastanak HFD-a | 169 | |||
| Mali miješani klasteri helija i spin-polariziranog tricija | Stipanović, Petar; Kežić, Bernarda; Vranješ Markić, Leandra | 978-953-7178-12-3 | 2009 | 6. znanstveni sastanak HFD-a | 77 | |||
| Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical Calculations | Glasovac Z., Vazdar M., Margetic D. | 2009 | Croat. Chem. Acta | 82 | 1 | 63-70 | ||
| Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study | Vrček V., Zipse H. | 2009 | J. Org. Chem. | 74 | 2947–2957 | |||
| Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular Modeling | Sabolović J., Gomzi V. | 2009 | Journal of Chemical Theory and Computation | 5 | 7 | 1940-1954 | ||
| Superbasicity of a Bis–guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study | M. P. Coles, P. J. Aragón-Sáez, S. H. Oakley, P. B. Hitchcock, M. G. Davidson, Z. B. Maksić, R. Vianello, I. Leito, I. Kaljurand, D. C. Apperley | 2009 | J. Am. Chem. Soc. | 131 | 16858–16868 | |||
| TDDFT study of nucleobase thioanalogues and oxo-derivatives excited states | Gomzi V. | 2009 | Journal of Theoretical and Computational Chemistry | 8 | 1 | 71-83 | ||
| The engineering of powerful non–ionic superacids in silico – a DFT–B3LYP study of open chain polycyanopolyenes | R. Vianello, Z. B. Maksić | 2009 | New J. Chem. | 33 | 739–748 | |||
| Zwitterionic structures of strained cis-pyramidalized disilenes: fact or artifact | Glasovac Z., Antol I., Vazdar M., Margetic D. | 10.1007/s00214-009-0633-x | 2009 | Theor Chem Acc | 124 | 05.lip | 421-430 | |
| Spectroscopic and DFT study of 3-quinolyl-alpha-aminophosphonates | Juribašić Marina, Tušek-Božić Ljerka | 10.1016/j.molstruc.2008.11.007 | 0022-2860 | 2009 | Journal of molecular structure | 924-926 | 66-72 | |
| Exhaustive Generation of Orthomodular Lattices with Exactly One Non-Quantum State | Pavičić Mladen | 10.1016/S0034-4877(10)00005-4 | 0034-4877 | 2009 | Reports on mathematical physics | 64 | 3 | 417-428 |
| A new cytosine-copper paramagnetic complex Spectroscopic study | Krilov D., Gomzi V., Herak J.N. | 2008 | Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy | 70 | 5 | 1238-1242 | ||
| DFT study of sulfur centred radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosine | Gomzi V. | 2008 | Molecular Physics | 106 | 11 | 1419-1425 | ||
| EPR study of a sulfur-centered π radical in γ -irradiated single crystal of 2-thiothymine | Bešić E., Gomzi V. | 2008 | Journal of Molecular Structure | 876 | 01.ožu | 234-239 | ||
| Radicals formed in cytosine– hydrochloridethiocytosine) single crystals: Insights from a DFT study | Gomzi V. | 2008 | Journal of Molecular Structure - Theochem | 860 | 01.ožu | 137-140 | ||
| Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO – a density functional B3LYP study | R. Vianello, Z. B. Maksić | 2008 | New J. Chem. | 32 | 413–427 | |||
| Computational design of Brønsted neutral organic superbases – [3]iminoradialenes and quinonimines are important synthetic targets | I. Despotović, Z. B. Maksić, R. Vianello | 2007 | New J. Chem. | 31 | 52–62 | |||
| Design of Brønsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes | I. Despotović, Z. B. Maksić, R. Vianello | 2007 | Eur. J. Org. Chem. | 3402–3413 | ||||
| DFT Study of Rearrangements in Cyclopentylheptenyl Carbocations | Vrček V. | 2007 | International Journal of Quantum Chemistry | 107 | 1772–1781 | |||
| Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalization by Triadic Formula | R. Vianello, N. Peran, Z. B. Maksić | 2007 | Eur. J. Org. Chem. | 526–539 | ||||
| Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines | I. Despotović, B. Kovačević, Z. B. Maksić | 2007 | Org. Lett. | 9 | 4709 | |||
| Interpretation of Brønsted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids | R. Vianello, Z. B. Maksić | 2007 | J. Phys. Chem. A | 111 | 11718–11724 | |||
| Pyridine and s–triazine as building blocks of nonionic organic superbases – a density functional theory B3LYP study | I. Despotović, B. Kovačević, Z. B. Maksić | 2007 | New J. Chem. | 31 | 447 | |||
| The Journal of Physical Chemistry A | Doslic N., Kovacevic G., Ljubic I. | 10.1021/jp072565o | 8650–8658 | 2007 | The Journal of Physical Chemistry A | 111 | 35 | 8650–8658 |
| Engineering Neutral Organic Bases and Superbases by Computational DFT Methods – Carbonyl Polyenes | I. Despotović, Z. B. Maksić, R. Vianello | 2006 | Eur. J. Org. Chem. | 5505–5514 | ||||
| Hydride Affinities of Some Substituted Alkynes: Prediction by DFT Calculations and Rationalization by Triadic Formula | R. Vianello, N. Peran, Z. B. Maksić | 2006 | J. Phys. Chem. A | 110 | 12870–12881 | |||
| Triadic analysis of substituent effects – gas–phase acidity of para–substituted phenols | R. Vianello, Z. B. Maksić | 2006 | Tetrahedron | 62 | 3402–3411 | |||
| A Novel Approach in Analyzing Aromaticity by Homo– and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes | D. Barić, B. Kovačević, Z. Maksić, T. Mueller | 2005 | J. Phys. Chem. A | 109 | 10594–10606 | |||
| Kochen-Specker Vectors | Pavičić M., Merlet J.P., McKay B.D., Megill N.D. | 2005 | Journal of Physics A: Mathematical and General | 38 | 7 | 1577-1592 | ||
| Dominant Role of the PI Framework in Cyclobutadiene | Kovačević B., Barić D., Maksić Z.B. i Mueller T. | 2004 | J. Phys. Chem. A | 108 | 9126-9133 | |||
| Extending the acidity ladder of neutral organic superacids — a DFT-B3LYP study of deprotonation of nonacyanofluorene | Maksić Z.B. i Vianello R. | 2004 | Tetrahedron Letters | 45 | 8663–8666 | |||
| Kekulenoid Addition Patterns for Fullerenes and Some Lower Homologs | Babić D., Došlić T., Klein D.J., Misra A. | 2004 | Bull. Chem. Soc. Jpn. | 77 | 2003–2010 | |||
| Kochen-Specker Algorithms for Qubits in Quantum Communication, Measurement and Computing | Pavičić M., Barnett S.M., Andersson E., Jeffers J., Oehberg P., Hirota O. Melville | 2004 | American Institute of Physics | 195-198 | ||||
| Structural and electronic properties of MgO nanotube clusters | Bilalbegovic G. | 2004 | Physical Review B | 70 | 45407 | |||
| The Origin of Antiaromaticity – A Dominant Role of π–Framework in Cyclobutadiene | B. Kovačević, D. Barić, Z. Maksić, T. Mueller | 2004 | J. Phy. Chem. A | 108 | 9126–9133 | |||
| The Origin of Aromaticity: Important Role of the Sigma Framework in Benzene | Kovačević B., Barić D., Maksić Z.B. i Mueller T. | 2004 | ChemPhysChem | 5 | 1352-1364 | |||
| Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy | Kovačević B., Maksić Z.B., Primorac M. | 2003 | Eur. J. Org. Chem. | 3777-3783 |