2010-2012   FP7 Marie Curie fellow, National Institute of Chemistry, Ljubljana, Slovenia (host: Dr. Janez Mavri)

2005   Alexander von Humboldt Postdoctoral Fellow, Institute of Organic Chemistry, University of Heidelberg, Germany (host: Prof. Rolf Gleiter)

05.11.2003.   PhD in Natural Sciences, University of Zagreb, Croatia. Thesis title: "Interactions of Lewis acids and bases". Supervisor: Prof. Zvonimir Maksić

2001–2003   Postgraduate study of physical chemistry, Faculty of Science, University of Zagreb, Croatia

17.11.2000.   Dipl. Ing. in Chemistry, Faculty of Science, University of Zagreb, Croatia. Thesis title: "Proton Affinities of Some Guanidine Derivatives". Supervisor: Prof. Zvonimir Maksić

1996–2000   Chemistry study, Faculty of Science, University of Zagreb, Croatia

1992–1996   The Sušak High School, Rijeka, Croatia

1984–1992   Primary School, Rijeka, Croatia

2015-2019   "Design and Synthesis of Novel Nitrogen-Containing Heterocyclic Fluorophores and Fluorescent Nanomaterials for pH and Metal-Ion Sensing"; research grant from the Croatian Science Foundation

2013-2017   "Computational Studies of the Biogenic Amines of the Brain for Targeting Neurological Diseases"; individual FP7 Marie Curie Career Integration Grant (FP7-PEOPLE-2012-CIG call)

2011-2014   "Broensted and Lewis acids and bases in chemistry and biochemistry"; fundamental project from the Croatian Ministry of Science, Education and Sports

2010-2012   "Computational Studies of Proton Dynamics in Hydrogen Bonded Systems and Enzymes"; individual Marie Curie Fellowship for Career Development (FP7–PEOPLE–2009–IEF call) for 18 months stay at the National Institute of Chemistry in Ljubljana (Slovenia)

2008-2010   "Computational Prediction of Structure and Catalytic Activity of New Organic Superacids"; Research Grant from the Unity through Knowledge Fund under the Young Researchers and Professionals Program co-financed by the industrial partner APO Environmental Protection Services Ltd. Zagreb, Croatia

2009-2010   "Acid-base and tautomeric properties of biologically relevant molecules in solution"; Croatia-Slovenia bilateral project

2008-2009   "Amide bond and their implications in molecular biology"; Austria-Croatia bilateral project

2018   Branimir Jernej Foundation Annual Award for a publication in the fields of molecular biology, neurosciences and biomedicine published in 2017

2017   Croatian National Science Award in the field of natural sciences awarded by the Croatian Parliament and the Ministry of Science and Education of the Republic of Croatia 

2015   Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor

2013   Presentation on the official web-site of the European Commission (http://www.croatia-in-the-eu.eu) celebrating Croatia's accession to the European Union

2012   "Marie Curie Success Story", presentation of the project among 23 individual Marie Curie fellowships in the publication "EU FP7 People Specific Programme Success Stories Booklet"

2012   Annual Award from the director of the Ruđer Bošković Institute for a paper in a journal with high impact factor

2010   "50,000th Marie Curie Fellowship Award", an honour given by the European Commission to 25 Marie Curie Fellows

2010   Annual Award from the director of the Ruđer Bošković Institute for securing a highly funded project

2010   "Promising Scientist Prize" of the Centre for the Applied Quantum Mechanics in Paris, France

2008   Annual Award of the Croatian Academy of Sciences and Arts for the development of the scientific and artistic work

2007   Leopold Ružička Award for young scientists of the Croatian Chemical Society

2006   Croatian National Science Award – Annual award for junior researchers awarded by the Croatian Parliament and the Ministry of Science, Education and Sports of the Republic of Croatia

2004   Annual Award by the Society of University Teachers and other Scientists in Zagreb for the work in chemistry 

2004   Alexander von Humboldt Postdoctoral Fellowship for a three months stay at the University of Heidelberg, Germany (host: Prof. Rolf Gleiter)

2004   City of Rijeka's Public Award – Annual award for the creative work and achievements in chemistry in 2002 and 2003

1995   Annual Award for the Achievements in Technical Culture and the Promotion of the City of Rijeka awarded by the Society of Technical Culture and the City of Rijeka

1993–2000   Scholar of the City of Rijeka

1. R. Vianello, J. Mavri: "EVB simulation of the catalytic activity of monoamine oxidases: from chemical physics to neurodegeneration”, in Theory and applications of the empirical valence bond approach: from physical chemistry to chemical biology, (F. Duarte, S. C. L. Kamerlin, Eds.), John Wiley & Sons Ltd., Chichester, UK, 2017, p. 199–231.

2. A. Maršavelski, R. Vianello: "What a difference a methyl group makes: the selectivity of monoamine oxidase B towards histamine and N-methylhistamine", Chemistry – A European Journal 2017, 23, 2915–2925.

3. T. Gregorić, M. Sedić, P. Grbčić, A. Tomljenović Paravić, S. Kraljević Pavelić, M. Cetina, R. Vianello, S. Raić-Malić: "Novel pyrimidine-2,4-dione–1,2,3-triazole and furo[2,3-d]pyrimidine-2-one–1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation", European Journal of Medicinal Chemistry 2017, 125, 1247–1267. 

4. M. Pavlin, M. Repič, R. Vianello, J. Mavri: "The chemistry of neurodegeneration: kinetic data and their implications”, Molecular Neurobiology 2016, 53, 3400–3415.  

5. D. Saftić, R. Vianello, B. Žinić: "5-Triazolyluracils and their N¹-sulfonyl derivatives: intriguing reactivity differences in the sulfonation of triazole N^1'-substituted and N^1'-unsubstituted uracil molecules", European Journal of Organic Chemistry 2015, 35, 7695–7704. 

6. I. Picek, R. Vianello, P. Šket, J. Plavec, B. Foretić: "Tandem β-elimination/hetero-Michael addition rearrangement of an N-alkylated pyridinium oxime to an O-alkylated pyridine oxime ether: an experimental and computational study", Journal of Organic Chemistry 2015, 80, 2165–2173.

7. I. Despotović, R. Vianello: "Engineering exceptionally strong oxygen superbases with 1,8-diazanaphthalene di-N-oxides”, Chemical Communications 2014, 50, 10941–10944. 

8. Z. B. Maksić, B. Kovačević, R. Vianello: "Advances in determining the absolute proton affinities of neutral organic molecules in the gas phase and their interpretation: a theoretical account", Chemical Reviews 2012, 112, 5240-5270.

9. R. Vianello, M. Repič, J. Mavri: "How are biogenic amines metabolized by monoamine oxidases?", European Journal of Organic Chemistry 2012, 7057–7065, cover page article.

10. R. Borštnar, M. Repič, M. Kržan, J. Mavri, R. Vianello: "Irreversible inhibition of monoamine ox­idase B by the antiparkinsonian medicines rasagiline and selegiline: a computational study", European Journal of Organic Chemistry 2011,  6419-6433, cover page article.

11. J. Stare, J. Mavri, J. Grdadolnik, J. Zidar, Z. B. Maksić, R. Vianello: "Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study", Journal of Physical Chemistry B 2011, 115, 5999-6010.

12. R. Vianello, Z. B. Maksić: "Polycyano derivatives of some organic tri– and hexacyclic molecules are powerful super– and hyperacids in the gas phase and DMSO: computational study by DFT approach", Journal of Organic Chemistry 2010, 22, 7670–7681.

Books and book chapters

Book chapters

• Horak, E., Vianello, R. & Murković Steinberg, I. (2019) Optical Sensing (Nano)Materials Based on Benzimidazole Derivatives. U: Marinescu, M. (ur.) Chemistry and Applications of Benzimidazole and its Derivatives. London, UK, IntechOpen, str. 184-205 doi:10.5772/intechopen.85643.

  doiwww.intechopen.com

• Vianello, R. & Mavri, J. (2017) EVB simulation of the catalytic activity of monoamine oxidases: from chemical physics to neurodegeneration. U: Duarte, F. & Kamerlin, S. (ur.) Theory and applications of the empirical valence bond approach: from physical chemistry to chemical biology. Chichester, Velika Britanija, John Wiley & Sons, str. 199-231 doi:10.1002/9781119245544.ch8.

  doi

Journal articles

Scientific and review papers

• Matić, J., Tandarić, T., Radić Stojković, M., Šupljika, F., Karačić, Z., Tomašić Paić, A., Horvat, L., Vianello, R. & Tumir, L. (2023) Phenanthridine–pyrene conjugates as fluorescent probes for DNA/RNA and an inactive mutant of dipeptidyl peptidase enzyme. Beilstein journal of organic chemistry, 19, 550-565 doi:10.3762/bjoc.19.40.

  doiwww.beilstein-journals.org

• Hok, L., Šakić, D., Vrček, V. & Vianello, R. (2023) Pharmaceutical Significance of the Stereoisomerisation Process. Kemija u industriji : časopis kemičara i tehnologa Hrvatske, (1-2), 55-64 doi:10.15255/kui.2022.027.

  doisilverstripe.fkit.hrsilverstripe.fkit.hrhrcak.srce.hr

• Alizadeh, A., Bagherinejad, A., Kayanian, J. & Vianello, R. (2022) An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control. RSC Advances, 12 (54), 34946-34950 doi:10.1039/d2ra05704b.

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• Sakač, N., Madunić-Čačić, D., Marković , D., Hok, L., Vianello, R., Vrček, V., Šarkanj, B., Đurin, B., Della Ventura , B., Velotta, R. & Jozanović, M. (2022) Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate. Chemosensors, 10 (12), 523, 14 doi:10.3390/chemosensors10120523.

  doiwww.mdpi.com

• Pantalon Juraj, N., Tandarić, T., Tadić, V., Perić, B., Moreth, D., Schatzschneider, U., Brozovic, A., Vianello, R. & Kirin, S. (2022) Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(II) and Cu(II) complexes. Dalton transactions, 51 (44), 17008-17021 doi:10.1039/d2dt02895f.

  doi

• Radović, M., Hok, L., Panić, M., Cvjetko Bubalo, M., Vianello, R., Vinković, M. & Radojčić Redovniković, I. (2022) Deep eutectic solvents as a stabilising medium for NAD coenzyme: unravelling the mechanism behind coenzyme stabilisation effect. Green chemistry, 24 (19), 7661-7674 doi:10.1039/d2gc02656b.

  doi

• Hok, L., Vianello, R., Matković- Čalogović, D., Karanović, L., Roca, S., Jaźwiński, J., Tašner, M., Vušak, D., Đaković, M. & Popović, Z. (2022) A series of nickel(II) thiocyanate complexes comprising various molar contents of isonicotinamide and water as ligands or co-crystallized moieties – an experimental and computational study. CrystEngComm, 24 (37), 6564-6578 doi:10.1039/d2ce00847e.

  doi

• Mehić, E., Hok, L., Wang, Q., Dokli, I., Svetec Miklenić, M., Findrik Blažević, Z., Tang, L., Vianello, R. & Majerić Elenkov, M. (2022) Expanding the scope of enantioselective halohydrin dehalogenases – group B. Advanced synthesis & catalysis, 364 (15), 2576-2588 doi:10.1002/adsc.202200342.

  doi

• Boček, I., Hok, L., Persoons, L., Daelemans, D., Vianello, R. & Hranjec, M. (2022) Imidazo[4,5-b]pyridine derived tubulin polymerization inhibitors: Design, synthesis, biological activity in vitro and computational analysis. Bioorganic chemistry, 127, 106032, 13 doi:10.1016/j.bioorg.2022.106032.

  doi

• Poje, G., Pessanha de Carvalho, L., Held, J., Moita, D., Prudêncio, M., Perković, I., Tandarić, T., Vianello, R. & Rajić, Z. (2022) Design and synthesis of harmiquins, harmine and chloroquine hybrids as potent antiplasmodial agents. European journal of medicinal chemistry, 238, 114408, 15 doi:10.1016/j.ejmech.2022.114408.

  doi

• Alizadeh, A., Bagherinejad, A., Kayanian, J. & Vianello, R. (2022) An experimental and computational study of new spiro-barbituric acid pyrazoline scaffolds: restricted rotation vs. annular tautomerism. New journal of chemistry, 46 (15), 7242-7252 doi:10.1039/d1nj06208e.

  doi

• Boček, I., Hranjec, M. & Vianello, R. (2022) Imidazo[4,5-b]pyridine derived iminocoumarins as potential pH probes: Synthesis, spectroscopic and computational studies of their protonation equilibria. Journal of molecular liquids, 355, 118982, 12 doi:10.1016/j.molliq.2022.118982.

  doi

• Hok, L., Rimac, H., Mavri, J. & Vianello, R. (2022) COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes. Computational and Structural Biotechnology Journal, 20, 1254-1263 doi:10.1016/j.csbj.2022.02.020.

  doiwww.sciencedirect.comfulir.irb.hr

• Maršavelski, A., Mavri, J., Vianello, R. & Stare, J. (2022) Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step. International journal of molecular sciences, 23 (3), 1910, 15 doi:10.3390/ijms23031910.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Camacho-Mojica, D., Ha, J., Min, S., Vianello, R. & Ruoff, R. (2022) Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116. PCCP. Physical chemistry chemical physics, 24, 3470-3477 doi:10.1039/d1cp04177k.

  doi

• Perin, N., Babić, D., Kassal, P., Čikoš, A., Hranjec, M. & Vianello, R. (2022) 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 materials. Chemosensors, 10 (1), 21, 15 doi:10.3390/chemosensors10010021.

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Štefan, L., Čikoš, A., Vianello, R., Đilović, I., Matković-Čalogović, D. & Dumić, M. (2021) Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane. Molecules, 26 (22), 7032, 21 doi:10.3390/molecules26227032.

  doiwww.mdpi.comfulir.irb.hrwww.mdpi.com

• Beč, A., Hok, L., Persoons, L., Vanstreels, E., Daelemans, D., Vianello, R. & Hranjec, M. (2021) Synthesis, computational analysis, and antiproliferative activity of novel benzimidazole acrylonitriles as tubulin polymerization inhibitors: Part 2. Pharmaceuticals, 14 (10), 1052, 26 doi:10.3390/ph14101052.

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Boček, I., Starčević, K., Novak Jovanović, I., Vianello, R. & Hranjec, M. (2021) Novel imidazo[4,5-b]pyridine derived acrylonitriles: A combined experimental and computational study of their antioxidative potential. Journal of molecular liquids, 342, 117527, 14 doi:10.1016/j.molliq.2021.117527.

  doi

• Marinović, M., Poje, G., Perković, I., Fontinha, D., Prudêncio, M., Held, J., Pessanha de Carvalho, L., Tandarić, T., Vianello, R. & Rajić, Z. (2021) Further investigation of harmicines as novel antiplasmodial agents: synthesis, structure-activity relationship and insight into the mechanism of action. European journal of medicinal chemistry, 224, 113687, 20 doi:10.1016/j.ejmech.2021.113687.

  doi

• Sakač, N., Madunić-Čačić, D., Marković, D., Hok, L., Vianello, R., Šarkanj, B., Đurin, B., Hajdek, K., Smoljan, B., Milardović, S., Matasović, B. & Jozanović, M. (2021) Potentiometric surfactant sensor based on 1,3-dihexadecyl-1H-benzo[d]imidazol-3-ium for anionic surfactants in detergents and household care products. Molecules, 26 (12), 3627, 14 doi:10.3390/molecules26123627.

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Bistrović Popov, A., Vianello, R., Grbčić, P., Sedić, M., Kraljević Pavelić, S., Pavelić, K. & Raić-Malić, S. (2021) Novel bis- and mono-pyrrolo[2,3-d]pyrimidine and purine derivatives: Synthesis, computational analysis and antiproliferative evaluation. Molecules, 26 (11), 3334, 26 doi:10.3390/molecules26113334.

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Matić, J., Jukić, M., Ismaili, H., Saftić, D., Ban, Ž., Tandarić, T., Vianello, R., Opačak-Bernardi, T., Glavaš-Obrovac, L. & Žinić, B. (2021) 6-Morpholino- and 6-amino-9-sulfonylpurine derivatives. Synthesis, computational analysis, and biological activity. Nucleosides, nucleotides & nucleic acids, 40 (4), 470-503 doi:10.1080/15257770.2021.1896001.

  doi

• Hok, L., Lluch Sanchez, E., Vianello, R., Kukovec, B. & Popović, Z. (2021) Self‐assembly of cobalt(II) coordination polymers with differently halosubstituted nicotinate ligands and 4,4’‐bipyridine – the effect of the halosubstituent positions on polymer types. European journal of inorganic chemistry, 2021 (15), 1470-1480 doi:10.1002/ejic.202100055.

  doi

• Ptiček, L., Hok, L., Grbčić, P., Topić, F., Cetina, M., Rissanen, K., Kraljević Pavelić, S., Vianello, R. & Racané, L. (2021) Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles. Organic & biomolecular chemistry, 19, 2784-2793 doi:10.1039/d1ob00235j.

  doi

• Hok, L. & Vianello, R. (2021) Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism. International journal of molecular sciences, 22 (6), 3193, 16 doi:10.3390/ijms22063193.

  doiwww.mdpi.comwww.mdpi.comdoi.orgfulir.irb.hr

• Perin, N., Hok, L., Beč, A., Persoons, L., Vanstreels, E., Daelemans, D., Vianello, R. & Hranjec, M. (2021) N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysis. European journal of medicinal chemistry, 211, 113003, 14 doi:10.1016/j.ejmech.2020.113003.

  doi

• Prah, A., Purg, M., Stare, J., Vianello, R. & Mavri, J. (2020) How monoamine oxidase a decomposes serotonin: an empirical valence bond simulation of the reactive step. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 124 (38), 8259-8265 doi:10.1021/acs.jpcb.0c06502.

  doipubs.acs.orgfulir.irb.hr

• Hok, L., Mavri, J. & Vianello, R. (2020) The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions. Molecules, 25 (24), 6017, 17 doi:10.3390/molecules25246017.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Rowlands, G., Severinsen, R., Buchanan, J., Shaffer, K., Jameson, H., Thennakoon, N., Leito, I., Lõkov, M., Kütt, A., Vianello, R., Despotović, I., Radić, N. & Plieger, P. (2020) Synthesis and Basicity Studies of Quinolino[7,8‑h]quinoline Derivatives. Journal of organic chemistry, 85, 11297-11308 doi:10.1021/acs.joc.0c01428.

  doi

• Roca, S., Hok, L., Vianello, R., Borovina, M., Đaković, M., Karanović, L., Vikić-Topić, D. & Popović, Z. (2020) The role of non-covalent intermolecularinteractions on the diversity of crystal packing insupramolecular dihalopyridine–silver(I) nitratecomplexes. Crystengcomm, 22, 7962-7974 doi:10.1039/d0ce01257b.

  doi

• Marinović, M., Perković, I., Fontinha, D., Prudêncio, M., Held, J., Pessanha de Carvalho, L., Tandarić, T., Vianello, R., Zorc, B. & Rajić, Z. (2020) Novel Harmicines with Improved Potency against Plasmodium. Molecules, 25 (19), 4376, 19 doi:10.3390/molecules25194376.

  doiwww.mdpi.comfulir.irb.hr

• Tandarić, T., Prah, A., Stare, J., Mavri, J. & Vianello, R. (2020) Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study. International journal of molecular sciences, 21 (17), 6151, 13 doi:10.3390/ijms21176151.

  doifulir.irb.hrwww.mdpi.com

• Rimac, H., Tandarić, T., Vianello, R. & Bojić, M. (2020) Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications. International journal of molecular sciences, 21 (16), 5740, 14 doi:10.3390/ijms21165740.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Pantalon Juraj, N., Krklec, M., Novosel, T., Perić, B., Vianello, R., Raić-Malić, S. & Kirin, S. (2020) Copper(II) and zinc(II) complexes of mono- and bis-1,2,3-triazole substituted heterocyclic ligands. Dalton transactions, 49 (26), 9002-9015 doi:10.1039/d0dt01244k.

  doi

• Foretić, B., Damjanović, V., Vianello, R. & Picek, I. (2020) Novel insights into the thioesterolytic activity of N-substituted pyridinium-4-oximes. Molecules, 25 (10), 2385, 16 doi:10.3390/molecules25102385.

  doi

• Valadbeigi, Y. & Vianello, R. (2020) Is It Possible to Achieve Organic Superbases beyond the Basicity Limit Using Tetrahedrane Scaffolds?. ChemistrySelect, 5 (19), 5794-5798 doi:10.1002/slct.202001407.

  doi

• Pregeljc, D., Teodorescu-Perijoc, D., Vianello, R., Umek, N. & Mavri, J. (2020) How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study. Neurotoxicity research, 37, 724-731 doi:10.1007/s12640-019-00149-0.

  doi

• Pantalon Juraj, N., Muratović, S., Perić, B., Šijaković Vujičić, N., Vianello, R., Žilić, D., Jagličić, Z. & Kirin, S. (2020) Structural variety of isopropyl-bis(2-picolyl)amine complexes with zinc(II) and copper(II). Crystal growth & design, 20 (4), 2440-2453 doi:10.1021/acs.cgd.9b01625.

  doi

• Kržan, M., Keuschler, J., Mavri, J. & Vianello, R. (2020) Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration. Biomolecules, 10 (2), 196, 10 doi:10.3390/biom10020196.

  doiwww.mdpi.comwww.mdpi.comdoi.orgfulir.irb.hr

• Perković, I., Raić-Malić, S., Fontinha, D., Prudêncio, M., Pessanha de Carvalho, L., Held, J., Tandarić, T., Vianello, R., Zorc, B. & Rajić, Z. (2020) Harmicines − harmine and cinnamic acid hybrids as novel antiplasmodial hits. European journal of medicinal chemistry, 187, 111927, 16 doi:10.1016/j.ejmech.2019.111927.

  doi

• Horak, E., Babić, D., Vianello, R., Perin, N., Hranjec, M. & Murković Steinberg, I. (2020) Photophysical properties and immobilisation of fluorescent pH responsive aminated benzimidazo[1,2-a]quinoline-6-carbonitriles. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 227, 117588, 15 doi:10.1016/j.saa.2019.117588.

  doi

• Pantalon Juraj, N., Miletić, G., Perić, B., Popović, Z., Smrečki, N., Vianello, R. & Kirin, S. (2019) Stereochemistry of Hexacoordinated Zn(II), Cu(II), Ni(II), and Co(II) Complexes with Iminodiacetamide Ligands. Inorganic chemistry, 58 (24), 16445-16457 doi:10.1021/acs.inorgchem.9b02200.

  doi

• Tandarić, T., Hok, L. & Vianello, R. (2019) From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics – A Computational Mechanistic Study. Croatica chemica acta, 92 (2), 287-295 doi:10.5562/cca3592.

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• Valadbeigi, Y. & Vianello, R. (2019) A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase. Journal of physical organic chemistry, 32 (10), e3995, 10 doi:10.1002/poc.3995.

  doi

• Tshepelevitsh, S., Kütt, A., Lõkov, M., Kaljurand, I., Saame, J., Heering, A., Plieger, P., Vianello, R. & Leito, I. (2019) On the Basicity of Organic Bases in Different Media. European journal of organic chemistry, 2019 (40), 6735-6748 doi:10.1002/ejoc.201900956.

  doi

• Cindrić, M., Sović, I., Mioč, M., Hok, L., Boček, I., Roškarić, P., Butković, K., Martin-Kleiner, I., Starčević, K., Vianello, R., Kralj, M. & Hranjec, M. (2019) Experimental and computational study of the antioxidative potential of novel nitro and amino substituted benzimidazole/benzothiazole-2-carboxamides with antiproliferative activity. Antioxidants, 8 (10), 477, 22 doi:10.3390/antiox8100477.

  doidx.doi.orgwww.mdpi.comfulir.irb.hr

• Toma, M., Božičević, L., Lapić, J., Djaković, S., Šakić, D., Tandarić, T., Vianello, R. & Vrček, V. (2019) Transacylation in Ferrocenoyl-Purines. NMR and Computational Study of the Isomerization Mechanism. Journal of organic chemistry, 84 (19), 12471-12480 doi:10.1021/acs.joc.9b01944.

  doi

• Tandarić, T. & Vianello, R. (2019) Computational Insight into the Mechanism of the Irreversible Inhibition of Monoamine Oxidase Enzymes by the Antiparkinsonian Propargylamine Inhibitors Rasagiline and Selegiline. ACS Chemical Neuroscience, 10 (8), 3532-3542 doi:10.1021/acschemneuro.9b00147.

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• Matić, J., Šupljika, F., Tandarić, T., Dukši, M., Piotrowski, P., Vianello, R., Brozović, A., Piantanida, I., Schmuck, C. & Radić Stojković, M. (2019) DNA/RNA recognition controlled by the glycine linker and the guanidine moiety of phenanthridine peptides. International journal of biological macromolecules, 134, 422-434 doi:10.1016/j.ijbiomac.2019.05.063.

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• Horak, E., Robić, M., Šimanović, A., Mandić, V., Vianello, R., Hranjec, M. & Murković Steinberg, I. (2019) Tuneable solid-state emitters based on benzimidazole derivatives: aggregation induced red emission and mechanochromism of D-π-A fluorophores. Dyes and pigments, 162, 688-696 doi:10.1016/j.dyepig.2018.10.069.

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• Valadbeigi, Y. & Vianello, R. (2018) Superacidity of -P(OH)3 and -SO(OH)2 derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysis. International journal of quantum chemistry, 118 (21), e25754, 10 doi:10.1002/qua.25754.

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• Foretić, B., Vianello, R., Matković-Čalogović, D., Jadreško, D. & Picek, I. (2018) Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(II) anions. New journal of chemistry, 42, 16115-16126 doi:10.1039/c8nj03066a.

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• Perin, N., Roškarić, P., Sović, I., Boček, I., Starčević, K., Hranjec, M. & Vianello, R. (2018) Amino-substituted benzamide derivatives as promising antioxidant agents: a combined experimental and computational study. Chemical research in toxicology, 31 (9), 974-984 doi:10.1021/acs.chemrestox.8b00175.

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• Maršavelski, A., Petrović, D., Bauer, P., Vianello, R. & Kamerlin, S. (2018) Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase. ACS Omega, 3 (4), 3665-3674 doi:10.1021/acsomega.8b00346.

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• Tandarić, T. & Vianello, R. (2018) Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 122 (5), 1464-1471 doi:10.1021/acs.jpca.7b11945.

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• Dabić, D., Brkljačić, L., Tandarić, T., Žinić, M., Vianello, R., Frkanec, L. & Kobetić, R. (2018) The Metal effect on self-assembling of oxalamide gelators explored by mass spectrometry and DFT calculations. Journal of the American Society for Mass Spectrometry, 28 (1), 103-113 doi:10.1007/s13361-017-1834-5.

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• Horak, E., Vianello, R., Hranjec, M. & Murković Steinberg, I. (2018) Colorimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff base. Supramolecular chemistry, 30 (10), 891-900 doi:10.1080/10610278.2018.1436708.

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• Hranjec, M., Horak, E., Babić, D., Plavljanin, S., Srdović, Z., Murković Steinberg, I., Vianello, R. & Perin, N. (2017) Fluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivity. New journal of chemistry, 41 (1), 358-371 doi:10.1039/c6nj02268e.

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• Oanca, G., Stare, J., Vianello, R. & Mavri, J. (2017) Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs. European journal of pharmacology, 817, 46-50 doi:10.1016/j.ejphar.2017.05.061.

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• Ban, Ž., Žinić, B., Vianello, R., Schmuck, C. & Piantanida, I. (2017) Nucleobase–Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA. Molecules, 22 (12), 2213, 22 doi:10.3390/molecules22122213.

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• Jug, U., Pregeljc, D., Mavri, J., Vianello, R. & Stare, J. (2017) Elementary SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation. Computational and Theoretical Chemistry, 1116, 96-101 doi:10.1016/j.comptc.2017.02.003.

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• Lõkov, M., Tshepelevitsh, S., Heering, A., Plieger, P., Vianello, R. & Leito, I. (2017) On the Basicity of Conjugated Nitrogen Heterocycles in Different Media. European journal of organic chemistry, 2017 (30), 4475-4489 doi:10.1002/ejoc.201700749.

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• Leščić Ašler, I., Štefanić, Z., Maršavelski, A., Vianello, R. & Kojić-Prodić, B. (2017) Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus. Acs chemical biology, 12 (7), 1928-1936 doi:10.1021/acschembio.6b01140.

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• Maršavelski, A. & Vianello, R. (2017) What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine. Chemistry : a European journal, 23 (12), 2915-2925 doi:10.1002/chem.201605430.

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• Horak, E., Hranjec, M., Vianello, R. & Murković Steinberg, I. (2017) Reversible pH switchable aggregation-induced emission of self-assembled benzimidazole-based acrylonitrile dye in aqueous solution. Dyes and pigments, 142, 108-115 doi:10.1016/j.dyepig.2017.03.021.

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• Horak, E., Vianello, R., Hranjec, M., Krištafor, S., Karminski Zamola, G. & Murković Steinberg, I. (2017) Benzimidazole acrylonitriles as multifunctional push-pull chromophores: spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 178, 225-233 doi:10.1016/j.saa.2017.02.011.

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• Gregorić, T., Sedić, M., Grbčić, P., Tomljenović Paravić, A., Kraljević Pavelić, S., Cetina, M., Vianello, R. & Raić-Malić, S. (2017) Novel pyrimidine-2,4-dione–1,2,3-triazole and furo[2,3-d]pyrimidine-2-one–1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation. European journal of medicinal chemistry, 125, 1247-1267 doi:10.1016/j.ejmech.2016.11.028.

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• Poberžnik, M., Purg, M., Repič, M., Mavri, J. & Vianello, R. (2016) Empirical Valence Bond Simulations of the Hydride- Transfer Step in the Monoamine Oxidase A Catalyzed Metabolism of Noradrenaline. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (44), 11419-11427 doi:10.1021/acs.jpcb.6b09011.

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• Vianello, R., Domene, C. & Mavri, J. (2016) The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes. Frontiers in Neuroscience, 10, 327, 24 doi:10.3389/fnins.2016.00327.

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• Pavlin, M., Repič, M., Vianello, R. & Mavri, J. (2016) The Chemistry of Neurodegeneration: Kinetic Data and Their Implications. Molecular neurobiology, 53, 3400-3415 doi:10.1007/s12035-015-9284-1.

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• Schwamm, R., Vianello, R., Maršavelski, A., García, M., Claramunt, R., Alkorta, I., Saame, J., Leito, I., Fitchett, C., Edwards, A. & Coles, M. (2016) 15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases. Journal of organic chemistry, 81 (17), 7612-7625 doi:10.1021/acs.joc.6b01330.

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• Kržan, M., Vianello, R., Maršavelski, A., Repič, M., Zakšek, M., Kotnik, K., Fijan, E. & Mavri, J. (2016) The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands. PLoS One, 11, e0154002-e0154002 doi:10.1371/journal.pone.0154002.

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• Mavri, J., Matute, R., Chu, Z. & Vianello, R. (2016) Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (14), 3488-3492 doi:10.1021/acs.jpcb.6b00894.

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• Škalamera, Đ., Sanders, E., Vianello, R., Maršavelski, A., Pevec, A., Turel, I. & Kirin, S. (2016) Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands. Dalton transactions, 45 (7), 2845-2858 doi:10.1039/C5DT03387J.

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• Maršavelski, A., Smrečki, V., Vianello, R., Žinić, M., Moguš-Milanković, A. & Šantić, A. (2015) Supramolecular Ionic-Liquid Gels with High Ionic Conductivity. Chemistry : a European journal, 21 (34), 12121-12128 doi:10.1002/chem.201500887.

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• Saftić, D., Vianello, R. & Žinić, B. (2015) 5-Triazolyluracils and Their N1-Sulfonyl Derivatives: Intriguing Reactivity Differences in the Sulfonation of Triazole N1'-Substituted and N1'-Unsubstituted Uracil Molecules. European journal of organic chemistry, 35, 7695-7704 doi:10.1002/ejoc.201501088.

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• Maršavelski, A., Močibob, M., Gruić- Sovulj, I. & Vianello, R. (2015) The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase. Physical Chemistry Chemical Physics, 17 (29), 19030-19038 doi:10.1039/C5CP03066H.

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• Picek, I., Vianello, R., Šket, P., Plavec, J. & Foretić, B. (2015) Tandem β-Elimination/hetero-Michael Addition Rearrangement of the N-Alkylated Pyridinium Oxime to O-Alkylated Pyridine Oxime Ether : An Experimental and Computational Study. Journal of organic chemistry, 80 (4), 2165-2173 doi:10.1021/jo5026755.

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• Pirc, G., Stare, J., Mavri, J. & Vianello, R. (2014) Hydrogen bond dynamics of histamine monocation in aqueous solution: how geometric arameters influence the hydrogen bond strength. Croatica chemica acta, 87 (4), 397-405 doi:10.5562/cca2512.

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• Repič, M., Vianello, R., Purg, M., Duarte, F., Bauer, P., Kamerlin, S. & Mavri, J. (2014) Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine. Proteins, 82 (12), 3347-3355 doi:10.1002/prot.24690.

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• Despotović, I. & Vianello, R. (2014) Engineering exceptionally strong oxygen superbases with 1, 8-diazanaphthalene di-N-oxides. Chemical communications, 50 (75), 10941-10944 doi:10.1039/C4CC05125D.

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• Curpan, R., Avram, S., Vianello, R. & Bologa, C. (2014) Exploring the biological promiscuity of high- throughput screening hits through DFT calculations. Bioorganic & medicinal chemistry, 22 (8), 2461-2461 doi:10.1016/j.bmc.2014.02.055.

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• Repič, M., Purg, M., Vianello, R. & Mavri, J. (2014) Examining electrostatic preorganization in monoamine oxidases A and B by structural comparison and pKa calculations. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (16), 4326-4332 doi:10.1021/jp500795p.

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• Pavlin, M., Mavri, J., Repič, M. & Vianello, R. (2013) Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor. Journal of neural transmission, 120 (6), 875-882 doi:10.1007/s00702-013-1016-y.

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• Glušič, M., Stare, J., Grdadolnik, J. & Vianello, R. (2013) Binding of cadmium dication to glutathione facilitates cysteine -SH deprotonation: A computational DFT study. Journal of inorganic biochemistry, 119, 90-94 doi:10.1016/j.jinorgbio.2012.11.004.

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• Radić, N., Despotović, I. & Vianello, R. (2012) Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis. Croatica chemica acta, 85 (4), 495-504 doi:10.5562/cca2121.

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• Vianello, R., Repič, M. & Mavri, J. (2012) How are Biogenic Amines Metabolized by Monoamine Oxidases?. European journal of organic chemistry, 2012 (36), 7057-7065 doi:10.1002/ejoc.201201122.

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• Maksić, Z., Kovačević, B. & Vianello, R. (2012) Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account. Chemical reviews, 112 (10), 5240-5270 doi:10.1021/cr100458v.

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• Borštnar, R., Repič, M., Kamerlin, S., Vianello, R. & Mavri, J. (2012) Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B. Journal of chemical theory and computation, 8 (10), 3864-3870 doi:10.1021/ct300119u.

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• Vianello, R. & Mavri, J. (2012) Microsolvation of the histamine monocation in aqueous solution : the effect on structure, hydrogen bonding ability and vibrational spectrum. New journal of chemistry, 36, 954-962 doi:10.1039/C2NJ20877F.

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• Borštnar, R., Repič, M., Kržan, M., Mavri, J. & Vianello, R. (2011) Irreversible Inhibition of Monoamine Ox­idase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study. European journal of organic chemistry, 2011 (32), 6419-6433 doi:10.1002/ejoc.201100873.

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• Vianello, R. (2011) Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution – Rationalization by Triadic Formula. Acta chimica Slovenica, 58 (3), 509-520.

• Stare, J., Mavri, J., Grdadolnik, J., Zidar, J., Maksić, Z. & Vianello, R. (2011) Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car-Parrinello Molecular Dynamics and Vibrational Spectroscopy Study. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (19), 5999-6010 doi:10.1021/jp111175e.

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• Vianello, R. & Maksić, Z. (2010) Polycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT Approach. Journal of organic chemistry, 75 (22), 7670-7681 doi:10.1021/jo101581a.

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• Coles, M., Aragon-Saez, P., Oakley, S., Hitchcock, P., Davidson, M., Maksić, Z., Vianello, R., Leito, I., Kaljurand, I. & Apperley, D. (2009) Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study. Journal of the American Chemical Society, 131 (46), 16858-16868 doi:10.1021/ja906618g.

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• Vianello, R. (2009) Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values. Croatica Chemica Acta, 82 (1), 27-39.

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• Vianello, R. & Maksić, Z. (2009) The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes. New Journal of Chemistry, 33 (4), 739-748 doi:10.1039/b816922e.

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• Vianello, R. & Maksić, Z. (2008) Rees polycyanated hydrocarbons and related compounds are extremely powerful Broensted superacids in the gas-phase and DMSO - a density functional B3LYP study. New journal of chemistry, 32 (3), 413-427 doi:10.1039/B713173A.

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• Vianello, R. & Maksić, Z. (2007) Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids. Journal of Physical Chemistry A, 111 (45), 11718-11724.

• Vianello, R. & Maksić, Z. (2007) Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study. Structural Chemistry, 18 (6), 821-826.

• Despotović, I., Maksić, Z. & Vianello, R. (2007) Design of Bronsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes. European Journal of Organic Chemistry, 2007 (20), 3402-3413.

• Maksić, Z. & Vianello, R. (2007) The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm. Pure and Applied Chemistry, 79 (6), 1003-1021.

• Despotović, I., Maksić, Z. & Vianello, R. (2007) Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targets. New Journal of Chemistry, 31, 52-62.

• Vianello, R., Peran, N. & Maksić, Z. (2007) Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula. European Journal of Organic Chemistry, 4, 526-539.

• Despotović, I., Maksić, Z. & Vianello, R. (2006) Engineering Neutral Organic Bases and Superbases by Computational DFT Methods - Carbonyl Polyenes. European Journal of Organic Chemistry, 24, 5505-5514.

• Vianello, R., Peran, N. & Maksić, Z. (2006) Hydride Affinities of some Substituted Alkynes - Prediction by DFT Calculations and Rationalization by Triadic Formula. The Journal of Physical Chemistry A, 110 (47), 12870-12881.

• Vianello, R., Maskill, H. & Maksić, Z. (2006) Basicity of amines in the gas phase - Analysis of the base-strengthening effect of an N-trityl group by use of a triadic formula. European Journal of Organic Chemistry, 11, 2581-2589.

• Vianello, R. & Maksić, Z. (2006) Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenols. Tetrahedron, 62, 3402-3411.

• Vianello, R. & Maksić, Z. (2005) Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons. Tetrahedron, 61 (39), 9381-9390.

• Vianello, R. & Maksić, Z. (2005) Extremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study. Chemical communications, 27, 3412-3414.

• Vianello, R. & Maksić, Z. (2005) Strong acidity of some polycyclic aromatics annelated to the cyclopentadiene moiety and their cyano derivatives - A density functional B3LYP study. European journal of organic chemistry, 16, 3571-3580.

• Vianello, R. & Maksić, Z. (2005) High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations. Tetrahedron letters, 46, 3711-3713.

• Vianello, R. & Maksić, Z. (2005) Hydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula. Inorganic Chemistry, 44, 1095-1102.

• Vianello, R. & Maksić, Z. (2005) Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects. Journal of physical organic chemistry, 18, 699-705.

• Vianello, R. & Maksić, Z. (2005) Acidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study. Molecular physics, 103, 209-219.

• Vianello, R., Kovačević, B., Ambrožić, G., Mavri, J. & Maksić, Z. (2004) Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds. Chemical physics letters, 400 (1-3), 117-121 doi:10.1016/j.cplett.2004.10.089.

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• Maksić, Z. & Vianello, R. (2004) Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene. Tetrahedron letters, 45, 8663-8666.

• Vianello, R. & Maksić, Z. (2004) Acidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene. European journal of organic chemistry, 24, 5003-5010.

• Vianello, R., Liebman, J. & Maksić, Z. (2004) In Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives. Chemistry-A European Journal, 10, 5751-5761.

• Maksić, Z. & Vianello, R. (2004) Design of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives. European Journal of Organic Chemistry, 9, 1940-1945.

• Maksić, Z. & Vianello, R. (2004) Tailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives. New journal of chemistry, 28, 843-846.

• Barić, D., Maksić, Z. & Vianello, R. (2004) On the Atomic Additivity of the Zero Point Vibrational Energy in Molecules. Journal of molecular structure. Theochem, 1-3 (672), 201-207.

• Vianello, R. & Maksić, Z. (2003) A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals. Collection of Czechoslovak chemical communications, 68 (12), 2322-2334.

• Kovačević, B., Maksić, Z., Vianello, R. & Primorac, M. (2002) Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding. New Journal of Chemistry, 26, 1329-1334.

• Maksić, Z. & Vianello, R. (2002) How Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules. Journal of Physical Chemistry A, 106, 6515-6520.

• Vianello, R., Kovačević, B. & Maksić, Z. (2002) In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives. New Journal of Chemistry, 26, 1324-1328.

• Maksić, Z. & Vianello, R. (2002) Anionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula. ChemPhysChem, 3 (8), 696-700.

• Maksić, Z. & Vianello, R. (2002) Quest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases. Journal of Physical Chemistry A, 106, 419-430.

• Kovačević, B., Maksić, Z. & Vianello, R. (2001) The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits. Journal of the Chemical Society. Perkin Transactions 2, - (-), 886-891 doi:10.1039/B101213O.

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Theses

Doctoral dissertation

• Vianello, R. (2003) 'Interactions of Lewis acids and bases', doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb.

national representative in the International Society of Theoretical Chemistry and Physics (from 2013)

member of the Croatian Chemical Society (from 2001)

member of the Croatian Society of Chemical Engineers (from 2006)

member of the Croatian Society of Theoretical and Mathematical Biology (from 2003)