Radovi korisnika

Popis 402 objavljenih radova u kojima su se koristili resursi klastera Isabella.
NaslovAutoriDOIISBN ili ISSNGodinaČasopis, knjiga, konferencijaSvezakIzdanjeStranice
Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116Camacho-Mojica Dulce C., Ha Jong-Kwon, Min Seung Kyu, Vianello Robert, Ruoff Rodney S.10.1039/d1cp04177k1463-90762022PCCP. Physical chemistry chemical physics243470-3477
Spectroscopic and Computational Study of the Protonation Equilibria of Amino-Substituted benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles as Novel pH-Sensing MaterialsPerin Nataša, Babić Darko, Kassal Petar, Čikoš Ana, Hranjec Marijana, Vianello Robert10.3390/chemosensors100100212022Chemosensors101-
Compositional stability of sediment microbial communities during a seagrass meadow declineMarkovski Marsej, Najdek Mirjana, Herndl Gerhard J., Korlević Marino10.3389/fmars.2022.9660702022Frontiers in Marine Science9-
New insight in the 2-flavor Schwinger model based on lattice simulationsNieto Castellanos Jaime Fabián, Bietenholz Wolfgang, Hip Ivan10.31349/suplrevmexfis.3.0207072022Joint Proceedings of the XXXV Annual Meeting DPyC- SMF & XIX Mexican School on Particles and Fields-
Finite temperature and delta-regime in the 2-flavor Schwinger modelHip Ivan, Nieto Castellanos Jaime Fabián, Bietenholz Wolfgang10.22323/1.396.02792022Proceedings of Science - Volume 396 - The 38th International Symposium on Lattice Field Theory (LATTICE2021)-
Deep Reinforcement Learning-Based Approach for Autonomous Power Flow Control Using Only Topology ChangesDamjanović Ivana, Pavić Ivica, Puljiz Mate, Brcic Mario10.3390/en151969202022Energies1519-
On Comprehension of Genetic Programming Solutions: A Controlled Experiment on Semantic InferenceSlivnik Boštjan, Kovačević Željko, Mernik Marjan, Kosar Tomaž10.3390/math101833862022Mathematics1018-
Glucosamine to gold nanoparticles binding studied using Raman spectroscopyMohaček Grošev Vlasta, Brljafa Sandro, Škrabić Marko, Marić Ivan, Blažek Bregović Vesna, Amendola Vincenzo, Ropret Polona, Kvaček Blažević Anita10.1016/j.saa.2021.1203261386-14252022Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy264-
Raman study of water deposited in solid argon matrixMohaček Grošev Vlasta, Furić Krešimir, Vujnović Vedran2022Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy-
Pressure-induced and flaring photocatalytic diversity of ZnO particles hallmarked by finely tuned pathwaysVrankić Martina, Šarić Ankica, Nakagawa Takeshi, Ding Yang, Despotović Ines, Kanižaj Lidija, Ishii Hirofumi, Hiraoka Nozomu, Dražić Goran, Lützenkirchen-Hecht Dirk, Peter Robert, Petravić Mladen10.1016/j.jallcom.2021.1624440925-83882022Journal of Alloys and Compounds894-
Mjerenje performanci platforme Apache Beam u obradi prostorno vremenskih tokova podatakaAleksandar Novak2022-
Synthesis, photochemistry and computational study of novel 1,2,3-triazole heterostilbenes: expressed biological activity of their electrocyclization photoproductsMlakić Milena, Faraho Ivan, Odak Ilijana, Talić Stanislava, Vukovinski Ana, Raspudić Anamarija, Bosnar Martina, Zadravec Rahela, Ratković Ana, Lasić Kornelija, Marinić Željko, Barić Danijela, Škorić Irena10.1016/j.bioorg.2022.1057010045-20682022Bioorganic chemistry121-
COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymesHok Lucija, Rimac Hrvoje, Mavri Janez, Vianello Robert10.1016/j.csbj.2022.02.0202001-03702022Computational and Structural Biotechnology Journal201254-1263
Adsorption of a wide variety of antibiotics on graphene-based nanomaterials: A modelling studyKern Matej, Škulj Sanja, Rožman Marko10.1016/j.chemosphere.2022.1340100045-65352022Chemosphere296-
Automatic compiler/interpreter generation from programs for Domain-Specific Languages: Code bloat problem and performance improvementKovačević Željko, Ravber Miha, Liu Shih-Hsi, Črepinšek Matej10.1016/j.cola.2022.1011052665-91822022Journal of Computer Languages70C-
Skaliranje energije i širine maločestičnih sustava u 2DIvna Baković2021-09-24
3D physics-based seismic shaking scenarios for city of Zagreb, Capital of CroatiaLatečki Helena, Molinari Irene, Stipčević Josip10.1007/s10518-021-01227-51570-761X2021-09-17Bulletin of Earthquake Engineering19121-27
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino- functionalization of 2-substituted benzoxazolesPtiček Lucija, Hok Lucija, Grbčić Petra, Topić Filip, Cetina Mario, Rissanen Kari, Kraljević Pavelić Sandra, Vianello Robert, Racané Livio10.1039/d1ob00235j1477-05202021Organic & biomolecular chemistry192784-2793
N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysisPerin Nataša, Hok Lucija, Beč Anja, Persoons Leentje, Vanstreels Els, Daelemans Dirk, Vianello Robert, Hranjec Marijana10.1016/j.ejmech.2020.1130030223-52342021European journal of medicinal chemistry211-
Self‐assembly of cobalt(II) coordination polymers with differently halosubstituted nicotinate ligands and 4,4’‐bipyridine – the effect of the halosubstituent positions on polymer typesHok Lucija, Lluch Sanchez Eloi, Vianello Robert, Kukovec Boris-Marko, Popović Zora10.1002/ejic.2021000551434-19482021European journal of inorganic chemistry2021151470-1480
Further investigation of harmicines as novel antiplasmodial agents: synthesis, structure-activity relationship and insight into the mechanism of actionMarinović Marina, Poje Goran, Perković Ivana, Fontinha Diana, Prudêncio Miguel, Held Jana, Pessanha de Carvalho Lais, Tandarić Tana, Vianello Robert, Rajić Zrinka10.1016/j.ejmech.2021.1136870223-52342021European journal of medicinal chemistry224-
Novel Bis- and Mono-Pyrrolo[2,3-d]pyrimidine and Purine Derivatives: Synthesis, Computational Analysis and Antiproliferative EvaluationBistrović Popov Andrea, Vianello Robert, Grbčić Petra, Sedić Mirela, Kraljević Pavelić Sandra, Pavelić Krešimir, Raić-Malić Silvana10.3390/molecules261133342021Molecules2611-
Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction MechanismHok Lucija, Vianello Robert10.3390/ijms220631932021International journal of molecular sciences226-
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-
Differential enrichment of H3K9me3 at annotated satellite DNA repeats in human cell lines and during fetal development in mouseVojvoda Zeljko Tanja, Ugarković Đurđica, Pezer Željka10.1186/s13072-021-00423-62021Epigenetics & Chromatin14147-16
Molecular and evolutionary basis for survival, its failure, and virulence factors of the zoonotic nematode Anisakis pegreffiiTrumbić Željka, Hrabar Jerko, Palevich Nikola, Carbone Vincenzo, Mladineo Ivona10.1016/j.ygeno.2021.06.0320888-75432021Genomics11352891-2905
Understanding the conformational, electronic and vibrational properties of Tetrahydrocannabinol (THC) and Cannabidiol (CBD). Pharmacophoric similarities and differencesBaranović Goran10.1016/j.molstruc.2021.1309450022-28602021Journal of molecular structure1244-
Role of substituents in the Hofmann–Löffler–Freytag reaction. A quantum-chemical case study on nicotine synthesisShkunnikova Sofia, Zipse Hendrik, Šakić Davor10.1039/d0ob02187c1477-05202021Organic & biomolecular chemistry19854-865
Low-pressure chromatographic separation and UV/Vis spectrophotometric characterization of the native and desialylated human apo-transferrinFriganović Tomislav, Tomašić Antonela, Šeba Tino, Biruš Ivan, Kerep Robert, Borko Valentina, Šakić Davor, Gabričević Mario, Weitner Tin10.1016/j.heliyon.2021.e080302405-84402021Heliyon79-
Towards the Well-Tempered Chloroplast DNA SequencesTurudić Ante, Liber Zlatko, Grdiša Martina, Jakše Jernej, Varga Filip, Šatović Zlatko10.3390/plants100713602223-77472021Plants107-
Combining Raman spectroscopy, DFT calculations and atomic force microscopy in the study of clinker materialsMohaček Grošev Vlasta, Đuroković Marija, Maksimović Aleksandar10.3390/ma141336482021Materials1413-
Uncovering the Electron‐Phonon Interplay and Dynamical Energy‐Dissipation Mechanisms of Hot Carriers in Hybrid Lead Halide PerovskitesChan Christopher C. S., Fan Kezhou, Wang Han, Huang Zhanfeng, Novko Dino, Yan Keyou, Xu Jianbin, Choy Wallace C. H., Lončarić Ivor, Wong Kam Sing10.1002/aenm.2020030711614-68322021Advanced Energy Materials119-
Microbiome of the Successful Freshwater Invader, the Signal Crayfish, and Its Changes along the Invasion RangeDragičević Paula, Bielen Ana, Petrić Ines, Vuk Marija, Žučko Jurica, Hudina Sandra10.1128/Spectrum.00389-212021Microbiology Spectrum92-
Combined NMR and Computational Study of Cysteine Oxidation during Nucleation of Metallic Clusters in Biological SystemsPem Barbara, Toma Mateja, Vrček Valerije10.1021/acs.inorgchem.1c003210020-16692021Inorganic chemistry6064144-4161
Photocatalytic degradation of imidacloprid in the flat-plate photoreactor under UVA and simulated solar irradiance conditions—The influence of operating conditions, kinetics and degradation pathwayBabić Kristina, Tomašić Vesna, Gilja Vanja, Le Cunff Jerome, Gomzi Vjeran, Pintar Albin, Žerjav Gregor, Kurajica Stanislav, Duplančić Marina, Zelić Ivana Elizabeta, Pavičić Tomislava Vukušić, Grčić Ivana10.1016/j.jece.2021.1056112213-34372021Journal of Environmental Chemical Engineering94-
ReaxFF force field development and application for toluene adsorption on MnMOx (M=Cu, Fe, Ni) catalystsGomzi Vjeran, Movre-Šapić Iva, Vidak Andrej202141-41
Photodegradation of neonicotinoids on a TiO2-based photocatalysts - efficiency of reactive oxygen speciesDuplančić Marina, Zelić Ivana Elizabeta, Gomzi Vjeran, Tomašić Vesna, Carić Dejana, Žilić Dijana202127th Croatian Meeting of Chemists and Chemical Engineers: Book of abstracts295-295
Grass pea natural variation reveals oligogenic resistance to Fusarium oxysporum f. sp. pisiSampaio Ana Margarida, Alves Mara Lisa, Pereira Priscila, Valiollahi Ehsan, Santos Carmen, Šatović Zlatko, Rubiales Diego, de Sousa Araújo Susana, van Eeuwijk Fred, Vaz Patto Maria Carlota10.1002/tpg2.201541940-33722021Plant Genome2021-
Accessing Ancestral Origin and Diversity Evolution by Net Divergence of an Ongoing Domestication Mediterranean Olive Tree VarietySales Hélia, Šatović Zlatko, Alves Mara Lisa, Fevereiro Pedro, Nunes João, Vaz Patto Maria Carlota10.3389/fpls.2021.6882142021Frontiers in plant science12-
Genetic diversity and structure analysis of Croatian garlic collection assessed by SSR markersPoljuha Danijela, Franić Mario, Kralj Ines, Weber Tim, Šatović Zlatko, Ban Dean, Toth Nina, Dumičić Gvozden, Kereša Snježana, Pinto da Cunha Camila, Goreta Ban Smiljana10.2478/fhort-2021-00110867-17612021Folia Horticulturae3311-15
High Genetic Diversity and Low Population Differentiation in Wild Hop (Humulus lupulus L.) from CroatiaGrdiša Martina, Šatović Zlatko, Liber Zlatko, Jakše Jernej, Varga Filip, Erhatić Renata, Srečec Siniša10.3390/app111464842021Applied Sciences-Basel21141-14
Genome-Wide Association Studies of Mineral Content in Common BeanGunjača Jerko, Carović-Stanko Klaudija, Lazarević Boris, Vidak Monika, Petek Marko, Liber Zlatko, Šatović Zlatko10.3389/fpls.2021.6364842021Frontiers in plant science12-
Assessment of the Origin and Diversity of Croatian Common Bean Germplasm Using Phaseolin Type, SSR and SNP Markers and Morphological TraitsVidak Monika, Šatović Zlatko, Liber Zlatko, Grdiša Martina, Gunjača Jerko, Kilian Andrzej, Carović-Stanko Klaudija10.3390/plants100406652223-77472021Plants104-
Seismic shaking scenarios for city of Zagreb, CroatiaLatečki Helena, Stipčević Josip, Molinari Irene10.5194/egusphere-egu21-87812021Book of Abstracts EGU General Assembly 20218781-8781
Triarylborane Dyes as a Novel Non‐Covalent and Non‐Inhibitive Fluorimetric Markers for DPP III EnzymeBan Željka, Karačić Zrinka, Tomić Sanja, Amini Hashem, Marder Todd B., Piantanida Ivo10.3390/molecules261648162021Molecules26-
SHH-N non-canonically sustains androgen receptor activity in androgen-independent prostate cancer cellsTrnski Diana, Sabol Maja, Tomić Sanja, Štefanac Ivan, Mrčela Milanka, Musani Vesna, Rinčić Nikolina, Kurtović Matea, Petrić Tina, Levanat Sonja, Ozretić Petar10.1038/s41598-021-93971-62021Scientific reports111-
Aryl-diyne linkers in bis-triarylborane cations control fluorimetric and Raman sensing of various DNA and RNAFerger Matthias, Ban Željka, Krošl Ivona, Tomić Sanja, Dietrich Lena, Lorenzen Sabine, Rauch Florian, Sieh Daniel, Friedrich Alexandra, Griesbeck Stefaine, Kenđel Adriana, Miljanić Snežana, Piantanida Ivo, Marder Todd B.10.1002/chem.2020051410947-65392021Chemistry : a European journal275142-5159
Importance of protein intrinsic conformational dynamics and transient nature of non-covalent interactions in ligand binding affinityKekez Mario, Zanki Vladimir, Antičević Ivan, Rokov-Plavec Jasmina, Maršavelski Aleksandra10.1016/j.ijbiomac.2021.10.0450141-81302021International journal of biological macromolecules192692-700
Mannosylated adamantane-containing desmuramyl peptide recognition by the NOD2 receptor: a molecular dynamics studyMaršavelski Aleksandra, Paurević Marija, Ribić Rosana10.1039/D1OB00679G1477-05202021Organic & biomolecular chemistry197001-7012
A ferrocene-based pseudopeptide chiroptical switchOpačak Saša, Babić Darko, Perić Berislav, Marinić Željko, Smrečki Vilko, Pem Barbara, Vinković Vrček Ivana, Kirin Srećko I.10.1039/D1DT00508A1477-92262021Dalton transactions134504-4511
Aluminum in dental implants: how to reduce a potential risk to patient´s health?Petrović Željka, Šarić Ankica, Despotović Ines, Katić Jozefina, Petković Marin10.3390/CMDWC2021-099332021Materials Proceedings-
Priprava novih indenskih heteropolicikličkih sustavaZnika Monika2021-
A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazinesPerić Berislav, Pantalon Juraj Natalija, Szalontai Gábor, Veličković Suzana R., Veljković Filip M., Vikić-Topić Dražen, Kirin Srećko I.10.1016/j.molstruc.2021.1301570022-28602021Journal of molecular structure1234-
Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUTJović Ozren, Šmuc Tomislav10.3390/ molecules261443232021Molecules264323-4343
Coumarin derivatives act as novel inhibitors of human dipeptidyl peptidase III: Combined in vitro and in silico studyAgić Dejan, Karnaš Maja, Šubarić Domagoj, Lončarić Melita, Tomić Sanja, Karačić Zrinka, Bešlo Drago, Rastija Vesna, Molnar Maja, Popović Boris M., Lisjak Miroslav10.3390/ph140605402021Pharmaceuticals146-
Structure prediction of neutral physiological copper(II) compounds with L-cysteine and L- histidineRamek Michael, Pejić Jelena, Sabolović Jasmina10.1016/j.jinorgbio.2021.1115360162-01342021Journal of inorganic biochemistry223-
Large‐scale mitogenome sequencing reveals consecutive expansions of domestic taurine cattle and supports sporadic aurochs introgressionCubric‐Curik Vlatka, Novosel Dinko, Brajkovic Vladimir, Rota Stabelli Omar, Krebs Stefan, Sölkner Johann, Šalamon Dragica, Ristov Strahil, Berger Beate, Trivizaki Stamatina, Bizelis Iosif, Ferenčaković Maja, Rothammer Sophie, Kunz Elisabeth, Simčič Mojca, Dovč Peter, Bunevski Gojko, Bytyqi Hysen, Marković Božidarka, Brka Muhamed, Kume Kristaq, Stojanović Srđan, Nikolov Vasil, Zinovieva Natalia, Schönherz Anna Amanda, Guldbrandtsen Bernt, Čačić Mato, Radović Siniša, Miracle Preston, Vernesi Cristiano, Curik Ino, Medugorac Ivica10.1111/eva.133151752-45712021Evolutionary Applications001-16
Benchmarking Apache Beam for IoT ApplicationsŽaja Mateo, Lipić Tomislav, Čavrak Igor202144rd MIPRO 2021 International Convention - Proceedings298-303
Intra-domain and cross-domain transfer learning for time series data – How transferable are the features?Otović Erik, Njirjak Marko, Jozinović Dario, Mauša Goran, Michelini Alberto, S̆tajduhar Ivan10.1016/j.knosys.2021.1079760950-70512021Knowledge-Based Systems239-
Investigation of the newly characterized baimantuoluoamide A and baimantuoluoamide B alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking and molecular dynamics simulationsGurushankar Krishnamurti, Rimac Hrvoje, Potemkin Vladimir, Grishina Maria10.1016/j.molstruc.2021.1299250022-28602021Journal of molecular structure1230-
Complementarity principle in terms of electron density for the study of EGFR complexesKandagalla Shivananda, Rimac Hrvoje, Potemkin Vladimir A, Grishina Maria A10.4155/fmc-2020-02651756-89192021Future Medicinal Chemistry1310863-875
Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble dockingNovak Jurica, Rimac Hrvoje, Kandagalla Shivananda, Pathak Prateek, Naumovich Vladislav, Grishina Maria, Potemkin Vladimir10.1080/07391102.2021.19278450739-11022021Journal of biomolecular structure & dynamics11-14
A triterpene glochidon from Phyllanthus debilis: Isolation, computational studies, and antidiabetic activity evaluationVerma Amita, Pathak Prateek, Rimac Hrvoje, Khalilullah Habibullah, Kumar Vikas, Grishina Maria, Potemkin Vladimir, Ahmed Bahar10.1016/j.bcab.2021.1021381878-81812021Biocatalysis and Agricultural Biotechnology36-
Potentiometric Surfactant Sensor Based on 1,3- Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care ProductsSakač Nikola, Madunić-Čačić Dubravka, Marković Dean, Hok Lucija, Vianello Robert, Šarkanj Bojan, Đurin Bojan, Hajdek Krunoslav, Smoljan Božo, Milardović Stjepan, Matasović Brunislav, Jozanović Marija10.3390/molecules261236272021Molecules2612-
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
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Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitorPavlin Matic, Mavri Janez, Repič Matej, Vianello Robert10.1007/s00702-013-1016-y0300-95642013Journal of neural transmission1206875-882
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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
Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic AnalysisRadić Nena, Despotović Ines, Vianello Robert10.5562/cca21210011-16432012Croatica chemica acta854495-504
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
Polycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT ApproachVianello Robert, Maksić Zvonimir10.1021/jo101581a0022-32632010Journal of organic chemistry75227670-7681
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
The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenesVianello Robert, Maksić Zvonimir10.1039/b816922e1144-05462009New Journal of Chemistry334739-748
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
Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental StudyColes Martyn P., Aragon-Saez Pedro J., Oakley Sarah H., Hitchcock Peter B., Davidson Matthew G., Maksić Zvonimir, Vianello Robert, Leito Ivo, Kaljurand Ivari, Apperley David C.10.1021/ja906618g0002-78632009Journal of the American Chemical Society1314616858-16868
Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic ValuesVianello Robert0011-16432009Croatica Chemica Acta82127-39
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
Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO - a density functional B3LYP studyVianello Robert, Maksić Zvonimir10.1039/B713173A1144-05462008New journal of chemistry323413-427
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
Design of Bronsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]CarbonylradialenesDespotović Ines, Maksić Zvonimir, Vianello Robert1434-193X2007European Journal of Organic Chemistry2007203402-3413
Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral AcidsVianello Robert, Maksić Zvonimir1089-56392007Journal of Physical Chemistry A1114511718-11724
Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targetsDespotović Ines, Maksić Zvonimir, Vianello Robert1144-05462007New Journal of Chemistry3152-62
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
Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic FormulaVianello Robert, Peran Nena, Maksić Zvonimir1434-193X2007European Journal of Organic Chemistry4526-539
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
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Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl PolyenesDespotović Ines, Maksić Zvonimir, Vianello Robert1434-193X2006European Journal of Organic Chemistry245505-5514
Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic FormulaVianello Robert, Peran Nena, Maksić Zvonimir1089-56392006The Journal of Physical Chemistry A1104712870-12881
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
Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of NonacyanofluoreneMaksić Zvonimir, Vianello Robert0040-40392004Tetrahedron letters458663-8666
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