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NaslovAutoriDOIISBN ili ISSNGodinaČasopis, knjiga, konferencijaSvezakIzdanjeStranice
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidationDuplančić Marina, Gomzi Vjeran, Pintar Albin, Kurajica Stanislav, Tomašić Vesna10.1016/j.ceramint.2020.09.1470272-88422021Ceramics international473108-3121
Error Evaluation and Suitability Assessment of Common Reliability Methods in the Case of Shallow FoundationsDodigović Filip, Ivandić Krešo, Kovačević Meho Saša, Soldo Božo10.3390/app110207952021Applied Sciences-Basel112-
Molecular Dynamics Simulations of Mitochondrial Uncoupling Protein 2Škulj Sanja, Brkljača Zlatko, Kreiter Jürgen, Pohl Elena E., Vazdar Mario10.3390/ijms220312142021International journal of molecular sciences22(3)-
How Secure Are Two-Way Ping-Pong and LM05 QKD Protocols under a Man-in-the-Middle Attack?Pavičić Mladen10.3390/e230201632021Entropy (Basel. Online)232-
Chemistry and Reactivity of 4-hydroxy-2-nonenal (HNE) in Model Biological SystemsVazdar Katarina, Škulj Sanja, Bakarić Danijela, Margetić Davor, Vazdar Mario10.2174/13895575216662101051105381389-55752021Mini-reviews in medicinal chemistry211-12
Sulfur molecules in space by X-rays: a computational studyBilalbegović Goranka, Maksimović Aleksandar, Valencic Lynne Ann, Lehtola Susi10.1021/acsearthspacechem.0c002382021ACS Earth and Space Chemistry-
ANT1 Activation and Inhibition Patterns Support the Fatty Acid Cycling Mechanism for Proton TransportKreiter Jürgen, Rupprecht Anne, Škulj Sanja, Brkljača Zlatko, Žuna Kristina, Knyazev Denis G., Bardakji Sarah, Vazdar Mario, Pohl Elena E.10.3390/ijms220524902021International journal of molecular sciences22(5)-
Modelling of the adsorption of pharmaceutically active compounds on carbon-based nanomaterialsIvanković Klaudija, Kern Matej, Rožman Marko10.1016/j.jhazmat.2021.1255540304-38942021Journal of hazardous materials414-
DFT‐PCM Study on Solvolytic Behaviour of N‐alkyl‐X‐pyridinium IonsMatić Mirela, Denegri Bernard10.1002/slct.2020042312021ChemistrySelect692410-2423
Sensing capabilities of ultrathin BaTiO3 nanostructures toward carbon oxides based on optical signals from the theoretical perspectiveLukačević Igor, Varga Pajtler Maja, Mužević Matko10.1016/j.matchemphys.2021.1244340254-05842021Materials chemistry and physics265124434-124440
Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu4 systems through CO2 hydrogenationSingh Deobrat, Gupta Sanjeev K., Seriani Nicola, Lukačević Igor, Sonvane Yogesh, Gajjar P. N., Ahuja Rajeev10.1039/D0SE01587C2021Sustainable Energy & Fuels52564-574
Selective DNA and protein isolation from marine macrophyte surfacesKorlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana10.3389/fmicb.2021.6659991664-302X2021Frontiers in microbiology12-
Synthesis and photochemistry of novel 1,2,3-triazole di-heterostilbenes. An experimental and computational studyRatković Ana, Mlakić Milena, Dehaen Wim, Opsomer Tomas, Barić Danijela, Škorić Irena10.1016/j.saa.2021.1200561386-14252021Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy261-
Unravelling the inhibitory zinc ion binding site and the metal exchange mechanism in human DPP IIITomić Antonija, Brkić Hrvoje, Matić Antonia, Tomić Sanja10.1039/D1CP01302E1463-90762021PCCP. Physical chemistry chemical physics2313267-13275
Mitochondrial Uncoupling Proteins (UCP1-UCP3) and Adenine Nucleotide Translocase (ANT1) Enhance the Protonophoric Action of 2,4-Dinitrophenol in Mitochondria and Planar Bilayer MembranesŽuna 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/biom110811782021Biomolecules111178-1192
Prediction of the kinetic stability of N-alkyl X-pyridinium ions in dichloromethaneMatić Mirela, Denegri Bernard10.1002/poc.42480894-32302021Journal of physical organic chemistry34-
Seasonal dynamics of epiphytic microbial communities on marine macrophyte surfacesKorlević Marino, Markovski Marsej, Zhao Zihao, Herndl Gerhard J., Najdek Mirjana10.3389/fmicb.2021.6713421664-302X2021Frontiers in microbiology12-
Disocijacijska duljina raspršenja atomskog trimera u osnovnome stanjuLeon Ćatipović2020-07-02
Effect of source-code preprocessing techniques on plagiarism detection accuracy in student programming assignmentsMatija Novak2020-02-02
Modeling and synthesis of novel oxime derivatives as potential cholinesterase inhibitorsRatković Ana, Pavlović Kristina, Barić Danijela, Marinić Željko, Grgičević Ivan, Škorić Irena10.1016/j.molstruc.2019.1271490022-28602020Journal of molecular structure1200127149-127149
From Grammar Inference to Semantic Inference—An Evolutionary ApproachKovačević Željko, Mernik Marjan, Ravber Miha, Črepinšek Matej10.3390/math80508162020Mathematics851-24
Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP CarrierŠkulj Sanja, Brkljača Zlatko, Vazdar Mario10.1002/ijch.2020000112020Israel journal of chemistry-
Chloride-Assisted Peptide MacrocyclizationVidović Nikolina, Horvat Gordan, Riva Davide, Rinkovec Tamara, Cindro Nikola, Tomišić Vladislav, Speranza Giovanna10.1021/acs.orglett.0c000361523-70602020Organic letters2262129-2134
Synthesis, photochemistry and photophysics of new butadiene derivatives: influence of the fluoro, dimethylamino and nitro substituents on the molecular structure and photoinduced behaviorGrgičević Ana, Fodor Lajos, Barić Danijela, Poje Margareta, Marinić Željko, Horváth Ottó, Škorić Irena10.1016/j.jphotochem.2020.1126901010-60302020Journal of photochemistry and photobiology. A, Chemistry400112690-112690
Učenje prijenosom znanja iz vremenskih serija - u kojoj su mjeri značajke prenosive?Otović Erik2020-
Novel radial distribution function approach in the study of point mutations: the HIV-1 protease case studyNovak Jurica, Grishina Maria A., Potemkin Vladimir A.10.4155/fmc-2020-00421756-89192020Future Medicinal Chemistry12111025-1036
Benzobicyclo[3.2.1]octene derivatives as a new class of cholinesterase inhibitorsČadež Tena, Grgičević Ana, Ahmetović Ramiza, Barić Danijela, Maček Hrvat Nikolina, Kovarik Zrinka, Škorić Irena10.3390/molecules252148722020Molecules2521-
Inferring Absolutely Non-Circular Attribute Grammars with a Memetic AlgorithmRavber Miha, Kovačević Željko, Črepinšek Matej, Mernik Marjan10.1016/j.asoc.2020.1069561568-49462020Applied Soft Computing100-
Implicit Hari–Zimmermann algorithm for the generalized SVD on the GPUsNovaković Vedran, Singer Sanja10.1177/10943420209727722020International journal of high performance computing applications-
Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformationsVušak Darko, Pejić Jelena, Jurković Mia, Szalontai Gábor, Sabolović Jasmina10.1039/D0CE00585A2020CrystEngComm22345587-5600
Symmetry breaking in the solid state of 9,10- anthracene amino acid conjugates as seen by X-ray diffraction and NMR spectroscopyPerić Berislav, Szalontai Gabor, Borovina Mladen, Vikić-Topić Dražen, Srećko Kirin10.1016/j.molstruc.2020.1288340022-28602020Journal of molecular structure1221-
A Detailed Kinetico-Mechanistic Investigation on the Palladium C–H Bond Activation in Azobenzenes and Their Monopalladated DerivativesBjelopetrović Alen, Barišić Dajana, Duvnjak Zrinka, Džajić Ivan, Juribašić Kulcsar Marina, Halasz Ivan, Martinez Manuel, Budimir Ana, Babić Darko, Ćurić Manda10.1021/acs.inorgchem.0c024180020-16692020Inorganic chemistry592317123-17133
Structural characterization of β-glycolaldehyde dimerMohaček Grošev Vlasta, Prugovečki Biserka, Prugovečki Stjepan10.5562/cca36060011-16432020Croatica chemica acta931P1-P8
Vibrational dynamics of 1, 3-propanediol in liquid, polycrystalline and glassy states: a Raman spectroscopic studyMohaček Grošev Vlasta, Baran Nikola10.1016/j.saa.2019.1175671386-14252020Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy226-
Phase control for quasi-2D blue emitters by spacer cation engineeringTam 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 Aleksandra10.1039/d0tc01631d2050-75262020Journal of Materials Chemistry C811052-11060
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 ChelatesKögel Julius F., Ullrich Sebastian, Kovačević Borislav, Wagner Sebastian, Sundermeyer Jörg10.1002/zaac.2020001080044-23132020Zeitschrift für anorganische und allgemeine Chemie64613923-932
The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver(I) nitrate complexesRoca Sunčica, Hok Lucija, Vianello Robert, Borovina Mladen, Đaković Marijana, Karanović Ljiljana, Vikić-Topić Dražen, Popović Zora10.1039/d0ce01257b2020Crystengcomm227962-7974
Drug screening with the Autodock Vina on a set of kinases without experimentally established structuresTomić Draško, Davidović Davor, Janđel Vladimir, Mesarić Josip, Skala Karolj, Lipić Tomislav10.23919/mipro48935.2020.92454402020MIPRO 2020 43rd International Convention395-401
Phylogeography of Campanula fenestrellata s.l. (Campanulaceae) in the northern AdriaticRešetnik Ivana, Temunović Martina, Liber Zlatko, Satovic Zlatko, Bogdanovic Sandro10.1007/s00606-020-01668-60378-26972020Plant systematics and evolution306-
Spatial distribution, niche ecology and conservation genetics of Degenia velebitica (Brassicaceae), a narrow endemic species of the north-western Dinaric AlpsLiber Zlatko, Surina Boštjan, Nikolić Toni, Škrtić Danijel, Šatović Zlatko10.1007/s00606-020-01695-30378-26972020Plant systematics and evolution3064-
Salvia officinalis survived in situ Pleistocene glaciation in ‘refugia within refugia’ as inferred from AFLP markersJug‑Dujaković Marija , Ninčević Tonka , Liber Zlatko , Grdiša Martina , Šatović Zlatko10.1007/s00606-020-01665-90378-26972020Plant systematics and evolution306-
The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental studyMaršavelski Aleksandra, Sabljić Igor, Sugimori Daisuke, Kojić-Prodić Biserka10.1016/j.ijbiomac.2020.04.1980141-81302020International journal of biological macromolecules158222-230
Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryosPalčić Ana, Babić Sanja, Maršavelski Aleksandra, Galić Maja, Topić Popović Natalija, Strunjak Perović Ivančica, Čož-Rakovac Rozelindra, Bronić Josip, Valtchev Valentin10.1016/j.micromeso.2020.1101032020Microporous and mesoporous materials-
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product databaseNovak Jurica, Rimac Hrvoje, Kandagalla Shivananda, Grishina Maria A., Potemkin Vladimir A.2020Future Medicinal Chemistry-
Attenuation of hepatic and breast cancer cells by Polygonatum verticillatum embedded silver nanoparticlesPathak Manish, Pathak Prateek, Rimac Hrvoje, Grishina Maria, Bagale Uday, Kumar Vikas, Majee Rahul, Potemkin Vladimir, Verma Amita10.1016/j.bcab.2020.1018631878-81812020Biocatalysis and Agricultural Biotechnology30-
Design, synthesis, and computational study of hybrid quinazoline-1,3,5-triazines as epidermal growth factor receptor (EGFR) inhibitors with anticancer activityPathak Prateek, Rimac Hrvoje, Grishina Maria, Verma Amita, Potemkin Vladimir10.1002/cmdc.2020006462020ChemMedChem-
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-2Pavan Gollapalli, Sharath Belenahalli Shekarappa, Rimac Hrvoje, Patil Prakash, Kumari Nalilu Suchetha, Kandagalla Shivanandha, Shetty Praveenkumar10.1080/07391102.2020.18416812020Journal of biomolecular structure & dynamics-
Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitorsKandagalla Shivananda, Belenahalli Shekarappa Sharath, Rimac Hrvoje, Grishina Maria A., Potemkin Vladimir A., Hanumanthappa Manjunatha10.1016/j.jmgm.2020.1077561093-32632020Journal of molecular graphics & modelling101-
Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implicationsRimac Hrvoje, Tandarić Tana, Vianello Robert, Bojić Mirza10.3390/ijms211657402020International journal of molecular sciences2116-
Novel Harmicines with Improved Potency against PlasmodiumMarinović Marina, Perković Ivana, Fontinha Diana, Prudêncio Miguel, Held Jana, Pessanha de Carvalho Lais, Tandarić Tana, Vianello Robert, Zorc Branka, Rajić Zrinka10.3390/molecules251943762020Molecules2519-
Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1, 2-a]quinoline-6-carbonitrilesHorak Ema, Babić Darko, Vianello Robert, Perin Nataša, Hranjec Marijana, Steinberg Ivana10.1016/j.saa.2019.1175881386-14252020Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy227-
Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline DerivativesRowlands 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.0c014280022-32632020Journal of organic chemistry8511297-11308
The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding InteractionsHok Lucija, Mavri Janez, Vianello Robert10.3390/molecules252460172020Molecules2524-
Evolutionary operators for the Hamiltonian completion problemPuljić Krunoslav, Manger Robert10.1007/s00500-020-05063-81432-76432020Soft computing242318073-18088
Fluorinated twist-bend nematogens: the role of intermolecular interactionKnežević Anamarija, Dokli Irena, Novak Jurica, Kontrec Darko, Lesac Andreja10.1080/02678292.2020.18175852020Liquid crystals-
QMC study of trapped Bose-Bose mixtures at finite temperatureDželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra2020Exploring Quantum Many‐Body Physics with Ultracold Atoms and Molecules- Booklet with abstracts105-105
Trapped Bose-Bose mixtures at finite temperature: A quantum Monte Carlo approachDželalija Krešimir, Cikojević Viktor, Boronat Jordi, Vranješ Markić Leandra10.1103/physreva.102.0633042469-99262020Physical Review A1026063304-1
Quantum Monte Carlo study of strongly interacting bosonic one-dimensional systems in periodic potentialsDželalija K., Markić L. Vranješ10.1103/physreva.101.0136262469-99262020Physical review. A1011-
Crossover from one to two dimensions in liquid 4He in a nanoporeVranješ Markić Leandra, Dželalija Krešimir10.1103/PhysRevB.101.1045052469-99502020Physical review. B.101104505-1
Ferrocene-Fused Acenequinones: Synthesis, Structure and Reaction ChemistryMahrholdt Julia, Kovalski Eduard, Korb Marcus, Hildebrandt Alexander, Vrček Valerije, Lang Heinrich10.1002/ejic.2020009562020European journal of inorganic chemistry-
Ionization Energy and Reduction Potential in Ferrocene Derivatives. Comparison of Hybrid and Pure DFT FunctionalsToma Mateja, Kuvek Tea, Vrček Valerije10.1021/acs.jpca.0c066631089-56392020The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory124398029-8039
Uloga mitohondrijskih proteina rasprezanja u mehanizmu prijenosa protona kroz unutrašnju mitohondrijsku membranuŠkulj Sanja2020-
Reaktivnost i efekti stabilizacije difenil-fosfinataIvana Tarandek2019-06-14
Covalent modification of phosphatidylethanolamine by 4-hydroxy-2-nonenal increases sodium permeability across phospholipid bilayer membranesJovanović Olga, Škulj Sanja, Pohl Elena E., Vazdar Mario10.1016/j.freeradbiomed.2019.08.0270891-58492019Free radical biology & medicine143433-440
Utilizing the Azaazulene Scaffolds in the Design of New Organic SuperbasesBarić Danijela10.1021/acsomega.9b020872019ACS Omega41215197-15207
Inquisitive Geometric Sites in h-BN Monolayer for Alkali Earth Metal Ion BatteriesKansara Shivam, Gupta Sanjeev K., Sonvane Yogesh, Varga Pajtler Maja, Ahuja Rajeev10.1021/acs.jpcc.9b044981932-74472019The Journal of Physical Chemistry C1233219340-19346
Prospects for experimental realization of two-dimensional aluminium allotropesLukačević Igor, Varga Pajtler Maja, Mužević Matko, Gupta Sanjeev K.10.1039/C8TC04718A2050-75262019Journal of Materials Chemistry C792666-2675
Hypergraph ContextualityPavičić Mladen10.3390/e211111071099-43002019Entropy (Basel. Online)21111107-1
New zinc ion parameters suitable for classical MD simulations of zinc metallo-peptidasesTomić Antonija, Horvat Gordan, Ramek Michael, Agić Dejan, Brkić Hrvoje, Tomić Sanja10.1021/acs.jcim.9b002351549-95962019Journal of chemical information and modeling5983437-3453
A Computational Insight into Reaction Between Different Amino Acids with Reactive Aldehydes 4- hydroxy-2-nonenal and 4-oxo-2-nonenalŠkulj Sanja, Vazdar Mario2019Croatica chemica acta-
Effect of electric field on optoelectronic properties of indiene monolayer for photoelectric nanodevicesSingh Deobrat, Gupta Sanjeev K., Lukacevic Igor, Muzevic Matko, Sonvane Yogesh, Ahuja Rajeev10.1038/s41598-019-53631-22019Scientific reports9-
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 SolutionRamek Michael, Marković Marijana, Mutapčić Ilina, Pejić Jelena, Kelterer Anne-Marie, Sabolović Jasmina10.1002/open.2019001592191-13632019ChemistryOpen8852-868
Facile Mechanochemical Anion Substitution in Cyclopalladated Azo-benzenesBjelopetrović Alen, Robić , Marko Halasz, Babić Darko, Juribašić Kulcsar Marina, Ćurić Manda10.1021/acs.organomet.9b006260276-73332019Organometallics38224479-4484
Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite FilmsLeung 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.2019016792019Advanced optical materials84-
Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol DehydrataseBilić Luka, Barić Danijela, Banhatti Radha Dilip, Smith David M., Kovačević Borislav10.1021/acs.jpcb.9b040711520-61062019The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical123296178-6187
Racemization of oxazepam and chiral 1, 4-benzodiazepines. DFT study of the reaction mechanism in aqueous solutionHok Lucija, Božičević Lucija, Sremec Helena, Šakić Davor, Vrček Valerije10.1039/C8OB02991A1477-05202019Organic & biomolecular chemistry171471-1479
Experimental and Computational Study of the Antioxidative Potential of Novel Nitro and Amino Substituted Benzimidazole/Benzothiazole- 2- Carboxamides with Antiproliferative ActivityCindrić Maja, Sović Irena, Mioč Marija, Hok Lucija, Boček Ida, Roškarić Petra, Butković Kristina, Martin-Kleiner Irena, Starčević Kristina, Vianello Robert, Kralj Marijeta, Hranjec Marijana10.3390/antiox81004772019Antioxidants810-
From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic StudyTandarić Tana, Hok Lucija, Vianello Robert10.5562/cca35920011-16432019Croatica chemica acta922287-295
Divergent selection and genetic structure of Sideritis scardica populations from southern Balkan Peninsula as revealed by AFLP fingerprintingGrdiša Martina, Radosavljević Ivan, Liber Zlatko, Stefkov Gjoshe, Ralli Parthenopi, Chatzopoulou Paschalina S., Carović-Stanko Klaudija, Šatović Zlatko10.1038/s41598-019-49097-x2045-23222019Scientific Reports9-
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 Dmitar10.1002/tax.120500040-02622019Taxon682340-369
Genetic diversity and structure of Fusarium oxysporum f.sp. lentis isolates from Iran, Syria and AlgeriaPouralibaba Hamid R., Šatović Zlatko, Cobos Maria Jose, Rubiales Diego, Fondevilla Sara10.1007/s10658-018-01617-70929-18732019European journal of plant pathology15341019-1029
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 Zlatko10.1038/s41598-019-40080-02045-23222019Scientific Reports911-13
Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potentialMiličević Ante, Miletić Goran I., Novak Jovanović Ivana10.1016/j.molliq.2019.04.1280167-73222019Journal of molecular liquids285551-556
Electrochemical oxidation of flavonoids: PM6 and DFT for elucidating electronic changes and modelling oxidation potential (part II)Miličević Ante, Miletić Goran I., Novak Jovanović Ivana10.1016/j.molliq.2019.1117300167-73222019Journal of molecular liquids295-
Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization MechanismToma Mateja, Božičević Lucija, Lapić Jasmina, Djaković Senka, Šakić Davor, Tandarić Tana, Vianello Robert, Vrček Valerije10.1021/acs.joc.9b019440022-32632019Journal of organic chemistry841912471-12480
Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and SelegilineTandarić Tana, Vianello Robert10.1021/acschemneuro.9b001471948-71932019ACS Chemical Neuroscience1083532-3542
DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptidesMatić Josipa, Šupljika Filip, Tandarić Tana, Dukši Marko, Piotrowski Patryciusz, Vianello Robert, Brozović Anamaria, Piantanida Ivo, Schmuck Carsten, Radić Stojković Marijana10.1016/j.ijbiomac.20190141-81302019International journal of biological macromolecules134422-434
Luminescent pyrenyl–GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cellsKowalski Konrad, Skiba Joanna, Kowalczyk Aleksandra, Fik Marta Anna, Gapińska Magdalena, Trzybiński Damian, Wozniak Krzysztof, Vrček Valerije, Czerwieniec Rafał10.1039/C9PP00271E1474-905X2019Photochemical & photobiological sciences182449-2460
Gold-Induced Desulfurization in a Bis(ferrocenyl) Alkane DithiolPensa Evangelina, Karpowicz Rafal, Jabłoński Artur, Trzybiński Damian, Woźniak Krzysztof, Šakić Davor, Vrček Valerije, Long Nicholas J., Albrecht Tim, Kowalski Konrad10.1021/acs.organomet.9b001750276-73332019Organometallics3892227-2232
Quinoline and ferrocene conjugates: Synthesis, computational study and biological evaluationsMaračić Silvija, Lapić Jasmina, Djaković Senka, Opačak-Bernardi Teuta, Glavaš-Obrovac Ljubica, Vrček Valerije, Raić-Malić Silvana10.1002/aoc.46280268-26052019Applied organometallic chemistry331e4628-e4628
Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling ReactionsLukin Stipe, Tireli Martina, Stolar Tomislav, Barišić Dajana, Blanco Maria Valeria, di Michiel Marco, Užarević Krunoslav, Halasz Ivan10.1021/jacs.8b121490002-78632019Journal of the American Chemical Society14131212-1216
Vector generation of contextual setsPavičić Mladen, Megill Norman D.2019EPJ Web of Conferences Volume 198 (2019) Quantum Technology International Conference 2018 (QTech 2018)-
Modulation Of Optical Properties With Multilayer Thickness In Antimonene And IndieneMužević Matko, Varga Pajtler Maja, Gupta Sanjeev Kumar, Lukačević Igor10.5185/amlett.2019.22200976-397X2019Advanced Materials Letters104270-274
Universality of size-energy ratio in four-body systemsStipanović Petar, Vranješ Markić Leandra, Gudyma Andrii, Boronat Jordi10.1038/s41598-019-42312-92045-23222019Scientific Reports916289(1)-6289(8)
Automated generation of Kochen-Specker setsPavičić Mladen, Waegell Mordecai, Megill Norman D., Aravind P. K.10.1038/s41598-019-43009-92045-23222019Scientific Reports91-
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1, 1'-Bis(thymine)ferrocene Nucleoside : Synthesis and Study of Its Stereoselective FormationKowalski Konrad, Anisimov Iurii, Salomon Sebastian, Hildebrandt Alexander, Lang Heinrich, Trzybinski Damian, Wozniak Krzysztof, Šakić Davor, Vrček Valerije10.1002/cplu.2017002152192-65062017ChemPlusChem826859-866
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Quantum Chemical Study of HOCl-Induced Transformations of CarbamazepineTandarić Tana, Vrček Valerije, Šakić Davor10.1039/C6OB02166B1477-05202016Organic & biomolecular chemistry1410866-10874
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Massive Generation of Contextual Quantum SetsPavičić Mladen.2016EMN Meeting on Quantum Communication and Quantum Imaging-2016 Program & Abstracts28-29
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Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion ActivationB. Kovačević, P. Schorr, Y. Qi, D.A. Volmer2014Journal of The American Society for Mass Spectrometry25111974-1986
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Effect of Intramolecular Hydrogen Bonds on the Gas-phase Basicity of GuanidinesGlasovac, Z., Eckert-Maksić M.10.1071/CH141820004-94252014Australian journal of chemistry6771056-1062
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Memory of chirality in the phthalimide photocyclization of adamantane dipeptidesŠumanovac Ramljak T., Sohora M., Antol I., Kontrec D., Basarić N., Mlinarić-Majerski K.10.1016/j.tetlet.2014.05.1182014Tetrahedron letters554078-4081
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Structure, defects, and strain in silicon-silicon oxide interfacesKovacevic G., Pivac B.10.1063/1.48628092014Journal of Applied Physics1154
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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.2014035432014Chemistry : a European journal.
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The Stability of Nitrogen-Centered Radicals, Organic & biomolecular chemistryHioe J., Šakić D., Vrček V., Zipse H.20141101.sij
Universality in molecular halo clustersStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi10.1103/PhysRevLett.113.2534012014Physical Review Letters11325253401 - 253405
Vibrational Analysis of 3-Glycidoxypropyltrimethoxysilane PolymerMovre Šapić I., Bistričić L., Volovšek V., Dananić V.10.1002/masy.2013001451521-39002014Macromolecular Symposia3391122-129
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 studyMarković, M., Ramek M., Sabolović J.10.1002/ejic.2013007461099-06822014European journal of inorganic chemistry20141198-212
A DFT-based model for calculating solvolytic reactivity. The nucleofugality of aliphatic carboxylates in terms of Nf parametersDenegri Bernard, Matić Mirela, Kronja Olga10.1039/C4OB00563E1477-05202014Organic & biomolecular chemistry12305698-5709
Obtaining massive data sets for contextual experiments in quantum informationPavičić Mladen2014Information and Communication Technology, Electronics and Microelectronics (MIPRO), 2014 37th International Convention on.332-335
4He clusters adsorbed on grapheneVranješ Markić, Leandra; Stipanović, Petar; Bešlić, Ivana; Zillich, Robert E.10.1103/PhysRevB.88.1254162013Physical Review B8812125416-1 - 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 ProtonKögel J.F., Oelkers B., Kovačević B., Sundermeyer J.2013Journal of the American Chemical Society354717768-17774
Atropisomerism in 1-(2-Adamantyl)naphthalene DerivativesVeljković J., Antol I., Basarić N., Smrečki V., Molčanov K., Müller N., Mlinarić-Majerski K.10.1016/j.molstruc.2013.04.0272013Journal of molecular structure1046101-109
Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen BondsBarić D., Dragičević I., Kovačević B.2013Journal of organic chemistry7884075-4082
Dibenzotetraaza[14]annulene – adenine conjugate recognizes complementary poly dT among ss-DNA / ss-RNA sequencesM. Radić Stojković, M. Škugor, S. Tomić, M. Grabar, V. Smrečki, L. Dudek, J. Grolik, J. Eilmes, Julita, I. Piantanida10.1039/c3ob40519b1477-05202013Organic & biomolecular chemistry11244077-4085
Glycolaldehyde dimer in the stable crystal phase has axial OH groups:Raman, infrared and X-ray data analysisV. Mohaček-Grošev , B. Prugovečki, S. Prugoveč, N. Strukan10.1016/j.molstruc.2013.05.0060022-28602013Journal of Molecular Structure1047209-215
Mechanisms and reaction-path dynamics of hydroxyl radical reactions with aromatic hydrocarbons: The case of chlorobenzeneKovacevic G., Sabljic A.10.1016/j.chemosphere.2013.04.0410045-65352013Chemosphere927851–856
Neighboring Effect in Fragmentation Pathways of Cage 2 Guanylhydrazones in the Gas PhaseŠekutor M., Glasovac Z., Mlinarić-Majerski K.10.1021/jp311049f1089-56392013Journal of physical chemistry. A.117102242-2252
Non-heme iron dependent enzymes – understanding transport of iron cation in acetylacetone dioxygenase from Acinetobacter johnsoiiTomić S., Brkić H., Straganz G., Buongiorno D.0175-75712013European Biophys. J.421814
Observed bands in Raman and infrared spectra of 1,3-dioxolane and their assignmentsV. Mohaček-Grošv, K. Furić, H. Ivanković10.1016/j.vibspec.2012.11.0070924-20312013Vibrational Spectroscopy64101-107
Photodeactivation paths in norbornadieneAntol I.10.1002/jcc.232702013Journal of computational chemistry34171439-1445
Proteini i nukleinske kiseline u vremenu i prostoruS. Tomić, H. Brkić, M. Grabar Branilović, A. Tomić, B. Bertoša, M. Šikić2013Bioinformatics 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 inhibitorM. Pavlin, J. Mavri, M. Repič, R. Vianello2013Journal of Neural Transmission120875–882
Study of lipophilicity and membrane partition of 4-hydroxycoumarins by HPLC and PCAIlijaš M., Malnar I., Gabelica Marković V., Stepanić V.2013J. Pharm. Biomed. Anal.76104-111
The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotidesM. Grabar Branilović, S. Tomić, L.-M. Tumir, I. Piantanida10.1039/C3MB25578F1742-206X2013Molecular biosystems982051-2062
The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidineAchrainer F., Šakić D., Vrček V., Zipse H.2013Organic & biomolecular chemistry11254232-4239
Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzeneKovacevic G., Sabljic A.10.1002/jcc.231751096-987X2013Journal of Computational Chemistry348646–655
Toward Extension of the Gas-Phase Basicity Scale by Novel Pyridine Containing GuanidinesGlasovac Z., Pavošević F., Štrukil V., Eckert-Maksić M., Schlangen M., Kretschmer R.10.1016/j.ijms.2013.06.0121387-38062013International journal of mass spectrometry354/355113-122
Universality of atomic quantum halo clustersStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi2013MBT17 XVII. International conference on recent progress in many-body theories56
Univerzalnost atomskih kvantnih halo klasteraStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Boronat, Jordi978-953-7178-15-420138. znanstveni sastanak HFD-a121
Dicyclopalladated Complexes of Asymmetrically Substituted Azobenzenes: Synthesis, Kinetics and MechanismsJuribašić Marina, Budimir Ana, Kazazić Snježana, Ćurić Manda10.1021/ic402017v0020-16692013Inorganic chemistry522112749-12757
Adsorption of 4HeN and 4HeN3He Clusters on CesiumStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea10.1007/s10909-011-0406-50022-2291 (print) / 1573-7357 (online)2012Journal of low temperature physics16601.vlj68-79
Computational Study of Radical Derived from Hydroxyurea and Its Methylated AnaloguesVinković Vrček I., Šakić D., Vrček V., Zipse H., Biruš M.2012Organic & biomolecular chemistry1061196-1206
Dke1 – Structure, Dynamics and Function, A Theoretical and Experimental Study Elucidated the Role of the Binding Site Shape and the H-Bonding Network in CatalysisH. Brkić, D. Buongiorno, M. Ramek, G. Straganz, S. Tomić10.1007/s00775-012-0898-80949-82572012Journal of biological inorganic chemistry175801-815
Interplay of crystallography and modelling in studying biological macromoleculesTomić S., Abramić M., Brkić H., Tomić A.978-953-154-157-22012Conference: Kristalografija u Hrvatskoj129 - 137
Kinetic differentiation between homo- and alternating AT-DNA by sterically restricted phosphonium dyesL.-M. Tumir, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova, M. Grabar Branilović, S. Tomić, I. Piantanida10.1002/chem.2011029680947-65392012Chemistry : a European journal18133859-3864
Liquid and solid 4He clusters adsorbed on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E.2012International Conference on Quantum Fluids and Solids 2012P4.33
Method for Estimating SN1 Rate Constants: Solvolytic Reactivity of BenzoatesMatić M., Denegri B., Kronja O.2012J. Org. Chem.778986−8998
Molecular modeling of nucleic acid - small molecule interactionsS. Tomić, M. Grabar Branilović, I. Piantanida2012Book 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 SolutionMarković M.2012PhD Thesis
Prereactive complexes in chlorination of benzene, triazine, and tetrazine. A quantum chemical studyŠakić D., Vrček V.2012Journal of physical chemistry A.11641298-1306
QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solventsAntol I., Eckert-Maksić M., Vazdar M., Ruckenbauer M., Lischka H.10.1039/C2CP41830D2012Physical Chemistry Chemical Physics143813262-13272
Ring strain and other factors governing the basicity of nitrogen heterocycles – an interpretation by triadic analysisN. Radić, I. Despotović, R. Vianello2012Croatica Chemica Acta85495–504
Structural effects responsible for stability and solvolytic reactivity of sulfonium ionsJurić S., Denegri B., Kronja O.2012J. Phys. Org. Chem.25147−152
Tebrophen - an old polyphenol drug with anticancer potentialRubelj, I., Stepanić, V., Jelić, D., Vidaček, N.Š., Kalajžić, A.Ć., Ivanković, M., Nujić, K., Matijašić, M., Verbanac, D.2012Molecules177864-7886
New Algorithms for Generating Arbitrary Kochen-Specker SetsMegill Norman D., Pavičić Mladen2012Bulletin of the American Physical Society, APS March Meeting 2012, Volume 57, Number 1Z30.00011-Z30.00011
4He clusters adsorbed on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert2011The 26th International Conference on Low Temperature Physics (LT26)349
A Pheromone Trails Model for MAX-MIN Ant SystemIvković N., Golub M., Maleković M.978-2-9539267-1-2201110th Biennal International Conference on Artificial Evolution, Angers, Francuska, October 24-26, 201135-46
Adsorpcija klastera 4HeN i 4HeN3He na površini cezijaStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinić, Tea978-953-7178-20-820117. znanstveni sastanak HFD-a109
Adsorption of 4HeN and 4HeN3He clusters on cesiumStipanović, Petar; Vranješ Markić, Leandra; Bešlić, Ivana; Martinic, Tea2011The 26th International Conference on Low Temperature Physics (LT26)346
Adsorption of helium clusters on grapheneVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, Robert E2011Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications12
Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical studyŠakić D., Zipse H., Vrček V.2011Organic & biomolecular chemistry.9114336-4346
Extended Trail Reinforcement Strategies for Ant Colony OptimizationIvković N., Maleković M., Golub M.10.1007/978-3-642-27172-4_780302-97432011Second International Conference, SEMCCO 2011, Visakhapatnam, Andhra Pradesh, India, December 19-21, 2011, Proceedings, Part I, Lecture Notes in Computer Science70761662-669
Ground state of small mixed helium and spin-polarized tritium clusters : A quantum Monte Carlo studyStipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi; Kezić, Bernarda10.1063/1.35308372011The Journal of chemical physics1345054509-1 - 054509-8
Guanidiniocarbonyl-pyrrole-aryl conjugates as nucleic acid sensors: switch of binding mode and spectroscopic responses by introducing additional binding sites into the linkerK. Groger, D. Baretić, I. Piantanida, M. Marjanović, M. Kralj, M. Grabar, S. Tomić, C. Schmuck10.1039/C0OB00103A1477-05202011Organic & biomolecular chemistry91198-209
Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin EpimersDörr F.A., Kovačević B., Maksić Z.B., Pinto E., Volmer D.A.2011Journal of the American Society for Mass Spectrometry22112011-2020
Kinetics and Mechanism of Oxidation of Hydroxyurea Derivatives with Hexacyanoferrate(III) in Aqueous SolutionBudimir A., Weitner T., Kos I., Šakić D., Gabričević M., Bešić E., Biruš M.2011Croatica chemica acta.842133-147
Molecular modeling of new permanently charged phenanthridinium-nucleobase conjugates in complexes with double stranded polynucleotidesM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida2011Ninth 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 grafenuVranješ Markić, Leandra; Bešlić, Ivana; Stipanović, Petar; Zillich, E. Robert978-953-7178-20-820117. znanstveni sastanak HFD-a90
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state. Inverted PI_N―SIGMA_N occupational stability of amidyl radicalsNaumov P., Topcu Y., Eckert-Maksić M., Glasovac Z., Pavošević F., Manoj K., Hara H.10.1021/jp203771c1089-56392011Journal of Physical Chemistry115267834-7848
Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cationsV. Mohaček Grošev, B. Foretić, O. Gamulin10.1016/j.saa.2011.01.0121386-14252011Spectrochimica Acta A Molecular and Biomolecular Spectroscopy781376-1379
New Insight into Solid-State Molecular Dynamics: Mechanochemical Synthesis of Azobenzene/Triphenylphosphine PalladacyclesCinčić Dominik, Juribašić Marina, Babić Darko, Molčanov Krešimir, Šket Primož, Plavec Janez, Ćurić Manda10.1039/c1cc15377c1359-73452011Chemical communications474111543-11545
Probabilistic Generation of Quantum Contextual SetsMegill Norman D., Fresl Krešimir, Waegell Mordecai, Aravind P.K., Pavičić Mladen10.1016/j.physleta.2011.07.0500375-96012011Physics letters. A375393419-3424
Kochen-Specker Sets and Generalized Orthoarguesian EquationsMegill Norman D., Pavičić Mladen10.1007/s00023-011-0109-01424-06372011Annales henri poincare1271417-1429
New Class of 4-Dim Kochen-Specker SetsPavičić Mladen, Megill Norman. D., Aravind Padmanabhan K., Waegell Mordecai10.1063/1.35495860022-24882011Journal of mathematical physics522022104-1
Parity proofs of the Bell-Kochen-Specker theorem based on the 600-cellWaegell Mordecai, Aravind P.K., Megill Norman D., Pavičić Mladen10.1007/s10701-011-9534-70015-90182011Foundations of physics415883-904
Proofs of the Kochen-Specker theorem based on the 600-cellAravind P.K., Waegell Mordecai, Megill Norman, Pavičić Mladen2011Bulletin of the American Physical Society, APS March Meeting 2011 Volume 56, Number 2 Monday–Friday, March 21–25, 2011 ; Dallas, TexasJ29.00002-J29.00002
Experimental and DFT study of 2-ferrocenylpropan-2-ol cyclodimerization productsLapić J., Cetina M., Šakić D., Djaković S., Vrček V., Rapić V.2010Arkivoc.119257-268
Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and DynamicsEckert-Maksić M., Antol I., Vazdar M., Barbatti M., Lischka H.978-90-481-3033-72010Kinetics and Dynamics: From Nano- to Bio-Scale / Paneth, P.; Dybala-Defratyka, A. (ur.). Netherlands : Springer77-107
Ground-state properties of small mixed helium and spin-polarized tritium clustersStipanović, Petar; Vranješ Markić, Leandra; Boronat, Jordi2010QFS2010 : International Symposium on Quantum Fluids and Solids112
Interaction of phosphonium cyanine dyes with DNAM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac, T. Deligeorgiev, A. Vasilev, S. Kaloyanova2010Abstracts 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 DNAM. Grabar, S. Tomić, L.-M. Tumir, I. Piantanida, I. Crnolatac2010Book 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 HexamersBilalbegović G.2010J. Phys. Chem. A1142715-720
Optical spectrum of proflavine and its ionsBonaca A., Bilalbegović G.2010Chemical 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 approachR. Vianello, Z. B. Maksić2010Journal of Organic Chemistry227670–7681
Unusual azobenzene/bipyridine palladacycles: structural, dynamical, photophysical and theoretical studiesJuribašić Marina, Ćurić Manda, Molčanov Krešimir, Matković-Čalogović Dubravka, Babić Darko10.1039/C0DT00018C1477-92262010Dalton transactions39378769-8778
Hilbert Lattice EquationsMegill Norman D., Pavičić Mladen10.1007/s00023-009-0019-61424-06372010Annales Henri Poincaré1071335-1358
Graph Approach to Quantum SystemsPavičić Mladen, McKay Brendan D., Megill Norman D., Fresl Krešimir10.1063/1.34917660022-24882010Journal of mathematical physics5110102103-1
New Kochen-Specker Sets in Four DimensionsPavičić Mladen, Megill Norman D., Merlet Jean-Pierre10.1016/j.physleta.2010.03.0190375-96012010Physics letters. A374212122-2128
Acidifying Effect of an N–Oxide group – A Useful Motif in Enhancing Acidity towards Superacidic ValuesR. Vianello2009Croat. Chem. Acta8227–39
Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculationsGlasovac Z., Eckert-Maksić M. , Maksić Z.B.2009New J. Chem.33588–597
Chlorination of ammonia and aliphatic amines by Cl2: DFT study of medium and substituent effectsVrček V., Meštrić H.2009J. Phys. Org. Chem.2259–68
Coordination chemistry of nickel(II) nitrate with superbasic guanidines as studied by electrospray mass spectrometryGlasovac Z., Štrukil V., Eckert-Maksić M., Schroeder D., Schlangen M., Schwarz H.2009International Journal of Mass Spectrometry
Difuzne spektralne vrpce međuzvjezdane tvari: optički spektar proflavinaBonaca A.2009Link
Klasteri helija adsorbirani na površini cezijaStipanović, Petar; Martinić, Tea; Vranješ Markić, Leandra978-953-7178-12-320096. znanstveni sastanak HFD-a169
Mali miješani klasteri helija i spin-polariziranog tricijaStipanović, Petar; Kežić, Bernarda; Vranješ Markić, Leandra978-953-7178-12-320096. znanstveni sastanak HFD-a77
Proton Affinities of Didehydroporphyrin and Subporphyrin in Ground and Excited States Obtained by Quantum Chemical CalculationsGlasovac Z., Vazdar M., Margetic D.2009Croat. Chem. Acta82163-70
Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical StudyVrček V., Zipse H.2009J. Org. Chem.742947–2957
Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular ModelingSabolović J., Gomzi V.2009Journal of Chemical Theory and Computation571940-1954
Superbasicity of a Bis–guanidino Compound with a Flexible Linker: A Theoretical and Experimental StudyM. 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. Apperley2009J. Am. Chem. Soc.13116858–16868
TDDFT study of nucleobase thioanalogues and oxo-derivatives excited statesGomzi V.2009Journal of Theoretical and Computational Chemistry8171-83
The engineering of powerful non–ionic superacids in silico – a DFT–B3LYP study of open chain polycyanopolyenesR. Vianello, Z. B. Maksić2009New J. Chem.33739–748
Zwitterionic structures of strained cis-pyramidalized disilenes: fact or artifactGlasovac Z., Antol I., Vazdar M., Margetic D.10.1007/s00214-009-0633-x2009Theor Chem Acc12405.lip421-430
Spectroscopic and DFT study of 3-quinolyl-alpha-aminophosphonatesJuribašić Marina, Tušek-Božić Ljerka10.1016/j.molstruc.2008.11.0070022-28602009Journal of molecular structure924-92666-72
Exhaustive Generation of Orthomodular Lattices with Exactly One Non-Quantum StatePavičić Mladen10.1016/S0034-4877(10)00005-40034-48772009Reports on mathematical physics643417-428
A new cytosine-copper paramagnetic complex Spectroscopic studyKrilov D., Gomzi V., Herak J.N.2008Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy7051238-1242
DFT study of sulfur centred radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosineGomzi V.2008Molecular Physics106111419-1425
EPR study of a sulfur-centered π radical in γ -irradiated single crystal of 2-thiothymineBešić E., Gomzi V.2008Journal of Molecular Structure87601.ožu234-239
Radicals formed in cytosine– hydrochloridethiocytosine) single crystals: Insights from a DFT studyGomzi V.2008Journal of Molecular Structure - Theochem86001.ožu137-140
Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO – a density functional B3LYP studyR. Vianello, Z. B. Maksić2008New J. Chem.32413–427
Computational design of Brønsted neutral organic superbases – [3]iminoradialenes and quinonimines are important synthetic targetsI. Despotović, Z. B. Maksić, R. Vianello2007New J. Chem.3152–62
Design of Brønsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]CarbonylradialenesI. Despotović, Z. B. Maksić, R. Vianello2007Eur. J. Org. Chem.3402–3413
DFT Study of Rearrangements in Cyclopentylheptenyl CarbocationsVrček V.2007International Journal of Quantum Chemistry1071772–1781
Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalization by Triadic FormulaR. Vianello, N. Peran, Z. B. Maksić2007Eur. J. Org. Chem.526–539
Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridinesI. Despotović, B. Kovačević, Z. B. Maksić2007Org. Lett.94709
Interpretation of Brønsted Acidity by Triadic Paradigm: A G3 Study of Mineral AcidsR. Vianello, Z. B. Maksić2007J. Phys. Chem. A11111718–11724
Pyridine and s–triazine as building blocks of nonionic organic superbases – a density functional theory B3LYP studyI. Despotović, B. Kovačević, Z. B. Maksić2007New J. Chem.31447
The Journal of Physical Chemistry ADoslic N., Kovacevic G., Ljubic I.10.1021/jp072565o8650–86582007The Journal of Physical Chemistry A111358650–8658
Engineering Neutral Organic Bases and Superbases by Computational DFT Methods – Carbonyl PolyenesI. Despotović, Z. B. Maksić, R. Vianello2006Eur. J. Org. Chem.5505–5514
Hydride Affinities of Some Substituted Alkynes: Prediction by DFT Calculations and Rationalization by Triadic FormulaR. Vianello, N. Peran, Z. B. Maksić2006J. Phys. Chem. A11012870–12881
Triadic analysis of substituent effects – gas–phase acidity of para–substituted phenolsR. Vianello, Z. B. Maksić2006Tetrahedron623402–3411
A Novel Approach in Analyzing Aromaticity by Homo– and Isostructural Reactions: An Ab Initio Study of FluorobenzenesD. Barić, B. Kovačević, Z. Maksić, T. Mueller2005J. Phys. Chem. A10910594–10606
Kochen-Specker VectorsPavičić M., Merlet J.P., McKay B.D., Megill N.D.2005Journal of Physics A: Mathematical and General3871577-1592
Dominant Role of the PI Framework in CyclobutadieneKovačević B., Barić D., Maksić Z.B. i Mueller T.2004J. Phys. Chem. A1089126-9133
Extending the acidity ladder of neutral organic superacids — a DFT-B3LYP study of deprotonation of nonacyanofluoreneMaksić Z.B. i Vianello R.2004Tetrahedron Letters458663–8666
Kekulenoid Addition Patterns for Fullerenes and Some Lower HomologsBabić D., Došlić T., Klein D.J., Misra A.2004Bull. Chem. Soc. Jpn.772003–2010
Kochen-Specker Algorithms for Qubits in Quantum Communication, Measurement and ComputingPavičić M., Barnett S.M., Andersson E., Jeffers J., Oehberg P., Hirota O. Melville2004American Institute of Physics195-198
Structural and electronic properties of MgO nanotube clustersBilalbegovic G.2004Physical Review B7045407
The Origin of Antiaromaticity – A Dominant Role of π–Framework in CyclobutadieneB. Kovačević, D. Barić, Z. Maksić, T. Mueller2004J. Phy. Chem. A1089126–9133
The Origin of Aromaticity: Important Role of the Sigma Framework in BenzeneKovačević B., Barić D., Maksić Z.B. i Mueller T.2004ChemPhysChem51352-1364
Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of MethoxyKovačević B., Maksić Z.B., Primorac M.2003Eur. J. Org. Chem.3777-3783