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1. The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija; Maksić, Zvonimir; Salopek-Sondi, Branka; Tomić, Sanja; Robert Vianello (ur.).
Zagreb : Institut Ruđer Bošković, 2010 (zbornik).
Vrh
 
  Izvorni znanstveni i pregledni radovi u CC časopisima
 

1. Mavri, Janez; Matute, Ricardo; Chu, Zhen; Vianello, Robert.
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 (2016) , 14; 3488-3492 (članak, znanstveni). URL link to workURL link to work

2. Picek, Igor; Vianello, Robert; Šket, Primož; Plavec, Janez; Foretić, Blaženka.
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 (2015) , 4; 2165-2173 (članak, znanstveni). prilozen text radaURL link to workURL link to work

3. Curpan, Ramona; Avram, Sorin; Vianello, Robert; Bologa, Cristian.
Exploring the biological promiscuity of high- throughput screening hits through DFT calculations. // Bioorganic & medicinal chemistry. 22 (2014) , 8; 2461-2461 (članak, znanstveni). URL link to work

4. Despotović, Ines; Vianello, Robert.
Engineering exceptionally strong oxygen superbases with 1, 8-diazanaphthalene di-N-oxides. // Chemical communications. 50 (2014) , 75; 10941-10944 (članak, znanstveni). URL link to workURL link to work

5. Repič, Matej; Purg, Miha; Vianello, Robert; Mavri, Janez.
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 (2014) , 16; 4326-4332 (članak, znanstveni). URL link to work

6. Repič, Matej; Vianello, Robert; Purg, Miha; Duarte, Fernanda; Bauer, Paul; Kamerlin, Shina C. L.; Mavri, Janez.
Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine. // Proteins. 82 (2014) , 12; 3347-3355 (članak, znanstveni). URL link to workURL link to work

7. Antol, Ivana.
Photodeactivation paths in norbornadiene. // Journal of computational chemistry. 34 (2013) , 17; 1439-1445 (članak, znanstveni). URL link to workURL link to work

8. Glušič, Martina; Stare, Jernej; Grdadolnik, Jože; Vianello, Robert.
Binding of cadmium dication to glutathione facilitates cysteine -SH deprotonation: A computational DFT study. // Journal of inorganic biochemistry. 119 (2013) ; 90-94 (članak, znanstveni). URL link to workURL link to work

9. Šumanovac Ramljak, Tatjana; Despotović, Ines; Bertoša, Branimir; Mlinarić-Majerski, Kata.
Synthesis and alkali metal complexation studies of novel cage-functionalized cryptands. // Tetrahedron. 69 (2013) , 49; 10610-10620 (članak, znanstveni). URL link to workURL link to work

10. Borštnar, Rok; Repič, Matej; Kamerlin, Shina Caroline Lynn; Vianello, Robert; Mavri, Janez.
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 (2012) , 10; 3864-3870 (članak, znanstveni). URL link to workURL link to work

11. Maksić, Zvonimir; Kovačević, Borislav; Vianello, Robert.
Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account. // Chemical reviews. 112 (2012) , 10; 5240-5270 (članak, znanstveni). URL link to workURL link to work

12. Radić, Nena; Despotović, Ines; Vianello, Robert.
Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis. // Croatica chemica acta. 85 (2012) , 4; 495-504 (članak, znanstveni). URL link to workURL link to work

13. Radić, Nena; Maksić, Zvonimir B.
Basicity of neutral organic superbases with vinamidine structure in gas phase and acetonitrile : a density functional theory study. // Journal of physical organic chemistry. 25 (2012) , 12; 1168-1176 (članak, znanstveni). URL link to workURL link to work

14. Vianello, Robert; Mavri, Janez.
Microsolvation of the histamine monocation in aqueous solution : the effect on structure, hydrogen bonding ability and vibrational spectrum. // New journal of chemistry. 36 (2012) ; 954-962 (članak, znanstveni). URL link to workURL link to work

15. Vianello, Robert; Repič, Matej; Mavri, Janez.
How are Biogenic Amines Metabolized by Monoamine Oxidases?. // European journal of organic chemistry. 2012 (2012) , 36; 7057-7065 (članak, znanstveni). URL link to workURL link to work

16. Borštnar, Rok; Repič, Matej; Kržan, Mojca; Mavri, Janez; Vianello, Robert.
Irreversible Inhibition of Monoamine Ox­idase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study. // European journal of organic chemistry. 2011 (2011) , 32; 6419-6433 (članak, znanstveni). URL link to workURL link to work

17. Despotović, Ines; Maksić, Zvonimir B.
The high affinity of azacalix[3](2, 6)pyridine derivatives for Be2+ cations—a DFT study. // Tetrahedron letters. 52 (2011) , 47; 6263-6266 (članak, znanstveni). URL link to workURL link to work

18. Dörr, Felipe A.; Kovačević, Borislav; Maksić, Zvonimir B.; Pinto, Ernani; Volmer, Dietrich A.
Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers. // Journal of the American Society for Mass Spectrometry. 22 (2011) , 11; 2011-2020 (članak, znanstveni). URL link to workURL link to work

19. Peran, Nena; Maksić, Zvonimir B.
Polycyclic croissant-like organic compounds are powerful superbases in the gas phase and acetonitrile—a DFT study. // Chemical communications. 47 (2011) , 4; 1327-1329 (članak, znanstveni). URL link to workURL link to work

20. Stare, Jernej; Mavri, Janez; Grdadolnik, Joze; Zidar, Jernej; Maksić, Zvonimir; Vianello, Robert.
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 (2011) , 19; 5999-6010 (članak, znanstveni). URL link to workURL link to work

21. Vianello, Robert.
Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution – Rationalization by Triadic Formula. // Acta chimica Slovenica. 58 (2011) , 3; 509-520 (članak, znanstveni). URL link to work

22. Vianello, Robert; Maksić, Zvonimir.
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 (2010) , 22; 7670-7681 (članak, znanstveni). URL link to workURL link to work

23. Coles, 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.
Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study. // Journal of the American Chemical Society. 131 (2009) , 46; 16858-16868 (članak, znanstveni). URL link to workURL link to work

24. Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.; Vazdar, Mario.
The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study. // Journal of Physical Chemistry A. 113 (2009) , 29; 8351-8358 (članak, znanstveni). URL link to workURL link to work

25. Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations. // New journal of chemistry. 33 (2009) , 3; 588-597 (članak, znanstveni). URL link to workURL link to work

26. Maksić, Zvonimir.
Comment on "Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types". // Journal of Physical Chemistry A. 113 (2009) , 4; 788-789 (članak, znanstveni). URL link to workURL link to work

27. Vianello, Robert.
Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values. // Croatica Chemica Acta. 82 (2009) , 1; 27-39 (članak, znanstveni). URL link to work

28. Vianello, Robert; Maksić, Zvonimir.
The engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes. // New Journal of Chemistry. 33 (2009) , 4; 739-748 (članak, znanstveni). URL link to workURL link to work

29. Barić, Danijela; Maksić, Zvonimir.
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]. // Tetrahedron letters. 49 (2008) , 8; 1428-1431 (članak, znanstveni). URL link to workURL link to work

30. Vianello, Robert; Maksić, Zvonimir.
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 (2008) , 3; 413-427 (članak, znanstveni). prilozen text radaURL link to workURL link to work

31. Antol, Ivana; Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.
[2.2.2]Propellane Isomerization via Grob Rearrangement - An Ab Initio MR-AQCC Study. // European Journal of Organic Chemistry. 2007 (2007) , 19; 3173-3178 (članak, znanstveni).

32. Despotović, Ines; Kovačević, Borislav; Maksić, Zvonimir.
Derivatives of Azacalix[3](2, 6)pyridine are Strong Neutral Organic Superbases: A DFT Study. // Organic Letters. 9 (2007) , 6; 1101-1104 (članak, znanstveni).

33. Despotović, Ines; Kovačević, Borislav; Maksić, Zvonimir.
Pyridine and s -triazine as building blocks of nonionic organic superbases - a density functional theory B3LYP study. // New Journal of Chemistry. 31 (2007) , 3; 447-457 (članak, znanstveni). URL link to workURL link to work

34. Despotović, Ines; Kovačević, Borislav; Maksić, Zvonimir.
Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines. // Organic Letters. 9 (2007) , 23; 4709-4712 (članak, znanstveni).

35. Despotović, Ines; Maksić, Zvonimir.
The structure and stability of [3]-radialenes and their dianions - A DFT study. // Theochem - Journal of Molecular Structure. 811 (2007) , 1-3; 313-322 (članak, znanstveni).

36. Despotović, Ines; Maksić, Zvonimir; Vianello, Robert.
Computational design of Bronsted neutral organic superbases - [3]iminoradialenes and quinonimines are important synthetic targets. // New Journal of Chemistry. 31 (2007) ; 52-62 (članak, znanstveni).

37. Despotović, Ines; Maksić, Zvonimir; Vianello, Robert.
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 (2007) , 20; 3402-3413 (članak, znanstveni).

38. Kovačević, Borislav; Despotović, Ines; Maksić, Zvonimir.
In Quest of Strong Neutral Organic Bases and Superbases - Supramolecular Systems Containing Four Pyridine Subunits. // Tetrahedron Letters. 48 (2007) , 2; 261-264 (članak, znanstveni).

39. Maksić, Zvonimir; Vianello, Robert.
The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm. // Pure and Applied Chemistry. 79 (2007) , 6; 1003-1021 (članak, znanstveni).

40. Vianello, Robert; Maksić, Zvonimir.
Aromaticity of Rees-type Hydrocarbons - a DFT Computational Study. // Structural Chemistry. 18 (2007) , 6; 821-826 (članak, znanstveni).

41. Vianello, Robert; Maksić, Zvonimir.
Interpretation of Broensted Acidity by Triadic Paradigm: A G3 Study of Mineral Acids. // Journal of Physical Chemistry A. 111 (2007) , 45; 11718-11724 (članak, znanstveni). URL link to work

42. Vianello, Robert; Peran, Nena; Maksić, Zvonimir.
Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula. // European Journal of Organic Chemistry. 4 (2007) ; 526-539 (članak, znanstveni).
Vrh
 
  Znanstveni radovi u drugim časopisima
 

1. Kržan, Mojca; Vianello, Robert; Maršavelski, Aleksandra; Repič, Matej; Zakšek, Maja; Kotnik, Kristina; Fijan, Estera; Mavri, Janez.
The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands. // PLoS One. 11 (2016) ; e0154002-e0154002 (članak, znanstveni). prilozen text radaURL link to workURL link to work
Vrh
 
  Ostali radovi u drugim časopisima
 

1. Maksić, Zvonimir.
Dvadeseta godišnjica Cavtatske deklaracije. // Kemija u industriji : časopis kemičara i tehnologa Hrvatske. 58 (2009) , 2; 82-84 (članak, stručni). URL link to work

2. Maksić, Zvonimir.
Velika četvorka i mala tema. // Kemija u industriji. 57 (2008) , 5; 257-257 (komentar, ostalo). URL link to work

3. Maksić, Zvonimir.
Divide et impera. // Kemija u industriji. 57 (2008) , 5; 261-261 (komentar, ostalo).

4. Maksić, Zvonimir.
O Ciceronu, Katilini i N. R.-u. // Kemija u industriji. 57 (2008) , 3; 127-128 (komentar, ostalo). URL link to work

5. Maksić, Zvonimir; Vianello, Robert.
Znanstvena izvrsnost i kompetitivnost. // Kemija u industriji. 57 (2008) , 3; 123-126 (članak, ostalo). URL link to work

6. Maksić, Zvonimir.
Osvrt na članak "Faktor šlepanja" N. Raosa ili njuh kao novi scientometrijski parametar. // Kemija u industriji. 56 (2007) , 5; 293-293 (komentar, ostalo). URL link to work
Vrh
 
  Kongresno priopćenje (sažeci) u ostalim časopisima
 

1. Ines Despotović.
Powerful Trident Scavengers for Some Alkali and Alkaline Earth Metal Cations // ISMEC 2014: International Symposium on Metal Complexes / Raffaela Biesuz and Enrique Garcia - Espana (ur.).
Pavia, 2014. 138-139 (poster,međunarodna recenzija,sažetak,znanstveni). prilozen text rada
Vrh
 
  Plenarna izlaganja
 

1. Vianello, Robert.
Computational analysis of the catalytic activity and irreversible inhibition of monoamine oxidase for targeting neurological diseases // 6th Central European Conference – Chemistry towards Biology.
(plenarno predavanje,međunarodna recenzija,sažetak,znanstveni).
Vrh
 
  Sažeci u zbornicima skupova
 

1. Ines Despotović.
Metal Cation Complexes with Tetrapyridine Macrocyclic Ligands - DFT Calculations // WATOC 2014: 10th Congress of the World Association of Theoretical and Computational Chemists.
Santiago, 2014. (poster,međunarodna recenzija,sažetak). prilozen text rada

2. Vianello, Robert.
Computational Insight into the Catalytic Activity of Monoamine Oxidase for Targeting Neurological Diseases // 6th EuCheMS Organic Division Young Investigators Workshop.
Larnaca, 2014. (pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

3. Vianello, Robert.
Recent progress in understanding the catalytic activity of monoamine oxidases // Interdisciplinary Chemical Approaches for Neuropathology.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

4. Despotović, Ines; Maksić, Zvonimir B.
Azacalix[3](2, 6)pyridine Derivatives are Powerful Trident Scavengers for some Alkali and Alkaline Earth Metal Cations // 8th International Symposium on Macrocyclic and Supramolecular Chemistry (ISMSC-8).
(poster,sažetak,znanstveni).

5. Vianello, Robert.
Computational insight into the catalytic activity and irreversible inhibition of monoamine oxidase for targeting neurological diseases // .
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

6. Vianello, Robert.
How are biogenic amines metabolized by monoamine oxidases? // Summer School: From Computational Enzymology towards Molecular Docking.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

7. Despotović, Ines; Maksić, Zvonimir B.
Metal Cation Complexation by Polypyridine Macrocyclic Compounds // XXIII Croatian Meeting of Chemists and Chemical Engineers / Hadžiev, Andrea ; Blažeković, Zdenko (ur.).
Zagreb, 2013. 176-176 (poster,sažetak,znanstveni).

8. Despotović, Ines; Radić, Nena; Vianello, Robert.
Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles - An Interpretation by Triadic Analysis // Book of Abstracts of XIV European Symposium on Organic Reactivity.
2013. 80-80 (poster,sažetak,znanstveni).

9. Vianello, Robert.
Computational insight into the catalytic activity and the inhibition of monoamine oxidase B // 15th Amine Oxidase Conference.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

10. Vianello, Robert.
10 najznačajnijih molekula 20. stoljeća // .
(predavanje,domaća recenzija,sažetak,znanstveni). URL link to work

11. Vianello, Robert.
Computational study of vibrational properties of histamine monocation: from aqueous solution to receptors // Institut Jožef Stefan.
(pozvano predavanje,sažetak,znanstveni).

12. Despotović, Ines.
Metal Cation Complexation by Macrocyclic Compounds Containing Four Pyridine Subunits - a DFT Study // ICPOC 21: Book of Abstracts / Williams, I. ; Butts, C. ; Buurma, M. ; Croft, A. (ur.).
Cambridge : The Royal Society of Chemistry, 2012. 113-113 (poster,sažetak,znanstveni).

13. Radić, Nena; Maksić, Zvonimir B.
Basicity of Neutral Organic Superbases with Vinamidine Structure in the Gas Phase and Acetonitrile – A DFT Study // Book of Abstracts of Theory and Applications of Computational Chemistry / Clementi, Enrico (ur.).
Varese, 2012. 221 (poster,sažetak,znanstveni).

14. Antol, Ivana; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
The influence of multiple fluorination on alleged valence isomerisation of [2.2.2]propellanes // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. PI-173 (poster,međunarodna recenzija,sažetak,znanstveni).

15. Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Influence of different dielectric continuum solvent models on the accuracy of pKa Values // The 13th European Symposium on Organic Reactivity - Book of Abstracts / Burk, Peeter (ur.).
Tartu, 2011. 125 (poster,međunarodna recenzija,sažetak,znanstveni). prilozen text rada

16. Pavošević, Fabijan; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Bond-stretch isomerism in 1, 3-disilabicyclo[1.1.0]butane by the computational chemistry approach // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. PII 026 (poster,međunarodna recenzija,sažetak,znanstveni).

17. Peran, Nena; Despotović, Ines; Maksić, Zvonimir B.
Polycyano Derivatives of Some Cyclic and Polycyclic Hydrocarbons Provide Stable Anions and Dianions - A Density Functional Study // Poster sesion I of the Ninth triennial congress of the World Association of Theoretical and Computational Chemists.
Santiago de Compostela, 2011. 154-154 (poster,sažetak,znanstveni).

18. Peran, Nena; Despotović, Ines; Maksić, Zvonimir B.
Polycyano Derivatives of Some Cyclic and Polycyclic Hydrocarbons Provide Stable Anions and Dianions - A Density Functional Study // Book of abstracts of the European Winter School on Physical Organic Chemistry / Licini, Giulia ; Scrimin, Paolo ; Zonta, Cristiano ; Mancin, Fabrizio, Prins, Leonard (ur.).
Padova : Cooperativa Libraria Editrice Università di Padova (CLEUP), 2011. P53 (poster,međunarodna recenzija,sažetak,znanstveni).

19. Peran, Nena; Maksić, Zvonimir B.
Basicity of Organic Superbases with Vinamidine Structure in Gas Phase and Acetonitrile – A DFT Study // Book of Abstracts of The 13^th European Symposium on Organic Reactivity / Peeter Burk (ur.).
Tartu : Hoobeks OÜ, 2011. 116 (poster,sažetak,znanstveni).

20. Vianello, Robert.
Iz laboratorija Marie Sklodowske Curie za svjetliju budućnost čovječanstva // Festival znanosti 2011.
Rijeka, 2011. (pozvano predavanje,sažetak,stručni). URL link to work

21. Vianello, Robert; Mavri, Janez.
Hydrogen Bond Dynamics and Computational Vibrational Spectroscopy in Aqueous Solution: The Case Study of Histamine Monocation // Ninth Triennial Congress of the World Association ot Theoretical and Computational Chemists / Yáñez, Manuel ; Mó, Otilia (ur.). - Santiago de Compostela.
2011. (predavanje,međunarodna recenzija,sažetak,znanstveni).

22. Vianello, Robert; Mavri, Janez.
Hydrogen Bond Dynamics and Computational Vibrational Spectroscopy in Aqueous Solution: The Case Study of Histamine Monocation // XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), Kanazawa, Japan.
2011. (pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

23. Despotović, Ines; Maksić, Zvonimir B.
Protonation of some Supramolecular Compounds Based on Pyridine Subunits // The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Vianello, Robert (ur.).
Zagreb : Institut Ruđer Bošković, 2010. 78 (poster,sažetak,znanstveni).

24. Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Multireference AQCC study of Hoffman-Bošković bond-stretch isomerization reactions // Fifteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV) Conference Programme and Abstracts / Elliott, Stephen (ur.).
Cambridge : Magdalene College University of Cambridge, 2010. 91-91 (poster,međunarodna recenzija,sažetak,znanstveni).

25. Peran, Nena; Maksić, Zvonimir.
Calculation of the Histidine pK_a Values in Water Using COSMO, COSMO-RS and Modified Cluster Continuum Models // Book of abstracts of The 26^th Winter School in Theoretical Chemistry / Sundholm, Dage (ur.).
Helsinki, 2010. (poster,međunarodna recenzija,sažetak,znanstveni).

26. Peran, Nena; Maksić, Zvonimir B.
Calculation of the Asparagine pK_a Values in Water Using COSMO, COSMO-RS and Modified Cluster-Continumm Models // Book of Abstracts of The 5^th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Vianellol, Robert (ur.).
Zagreb : Institut Ruđer Bošković, 2010. 110 (poster,međunarodna recenzija,sažetak,znanstveni).

27. Vianello, Robert.
"One group to rule them all" - Polycyano organic compounds are record holding superacids // XVth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV).
Cambridge, 2010. (pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

28. Despotović, Ines; Maksić, Zvonimir.
Metal Cation Complexation by Supramolecular Structures Based on Pyridine Subunits // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb, 2009. (poster,sažetak,znanstveni).

29. Peran, Nena; Maksić Zvonimir.
Calculations of the pK_a Values in Water of Some Aminocarboxylic Acids Using COSMO and Modified Cluster-Continuum Model // Book of Abstracts of The 3^rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić Nađa ; Smith David ; Tomić Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb : Institute of Computational Life Sciences (ICLS), 2009. 71 (poster,međunarodna recenzija,sažetak,znanstveni).

30. Vianello, Robert.
Computational Prediction of New Extremely Acidic Superacids Awaiting Experimental Synthesis // XXI. Hrvatski skup kemičara i kemijskih inženjera / Novak, Predrag (ur.).
Trogir : Petrokemija Kutina, 2009. 46-46 (pozvano predavanje,domaća recenzija,sažetak,znanstveni).

31. Vianello, Robert; Maksić, Zvonimir.
What a difference a CN makes! Polycyano compounds are record holding superacids // Book of Abstracts of The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb : Institute of Computational Life Sciences (ICLS), 2009. 79-79 (poster,međunarodna recenzija,sažetak,znanstveni).

32. Despotović, Ines; Maksić, Zvonimir.
Towards organic conductors - the structure and stability of cyano-[n]-radialenes and their dianions // Book of Abstracts of XXIX European Congress on Molecular Spectroscopy / Musić, Svetozar ; Ristić Mira ; Krehula Stjepko (ur.).
Opatija, 2008. (poster,međunarodna recenzija,sažetak,znanstveni).

33. Despotović, Ines; Maksić, Zvonimir.
The structure and stability of cyano-[n]-radialenes and their dianions // Book of Abstracts of the 2nd EuCheMS Chemistry Congress.
Torino, 2008. (poster,sažetak,znanstveni).

34. Maksić, Zvonimir.
From Concepts to Computations and Vice Versa // Electron Correlation and Molecular Dynamics for Excited States and Photochemistry.
Beč, 2008. (predavanje,međunarodna recenzija,sažetak,znanstveni).

35. Maksić, Zvonimir.
Design of Organic Superacids and Superbases "Ex Machina" - An Interplay Between Conceptual and Computational Chemistry // 7th European Conference on Computational Chemistry.
Venecija, 2008. (međunarodna recenzija,sažetak,znanstveni).

36. Maksić, Zvonimir.
Acidity and Basicity in Solutions - a Selection of the Best Model and Implication for Grid Applications // COST D37 Meeting.
Barcelona, 2008. (predavanje,međunarodna recenzija,sažetak,znanstveni).

37. Maksić, Zvonimir.
From Concepts to Computations and Back : Design of Strong Organic Superacids and Superbases // Twenty second annual Charles A. Coulson lecture : Abstracts / Athens ; Georgia (ur.).
Athens (GA), 2008. (pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).

38. Maksić, Zvonimir; Peran, Nena; Vianello, Robert.
Acidity and Basicity of 20+2 alpha-Amino Acids in Vacuo and Water Solutions // 19^th IUPAC Conference on Physical Organic Chemistry.
Santiago de Compostela, 2008. 81 (predavanje,međunarodna recenzija,sažetak,znanstveni).

39. Peran, Nena; Maksić, Zvonimir.
Performance of the Cluster-Continuum Model in Calculating pK_a of Some alpha-Aminoacids // Book of Abstracts of 19^th IUPAC Conference on Physical Organic Chemistry.
Santiago de Compostela, 2008. 165 (poster,međunarodna recenzija,sažetak,znanstveni).

40. Peran, Nena; Maksić, Zvonimir.
Calculating pK_a of Some alpha - Aminoacids Using Cluster - Continuum Model // Book of Abstracts of XXIX European Congress on Molecular Spectroscopy / Musić, Svetozar ; Ristić, Mira ; Krehula, Stjepko (ur.).
2008. 1-1 (poster,međunarodna recenzija,sažetak,znanstveni).

41. Vianello, Robert.
Extremely acidic neutral organic superacids - computationally predicted molecules awaiting experimental synthesis // Workshop on new materials in industry & medicine.
Zagreb, 2008. (predavanje,međunarodna recenzija,sažetak,znanstveni).

42. Antol, Ivana; Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.
Ab initio MR-AQCC studij "bond stretch" izomerizacije [2.2.2]propelana // XX. hrvatski skup kemičara i kemijskih inženjera : Knjiga sažetaka / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007. 163-163 (poster,domaća recenzija,sažetak,znanstveni).

43. Despotović, Ines; Kovačević, Borislav; Maksić, Zvonimir.
In pursuit of the new organic superbases - pyridine and triazine as a building blocks // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić, Nađa ; David, Smith ; Tomić, Sanja ; Kristijan, Vlahoviček (ur.).
Zagreb : Institut Ruđer Bošković, 2007. 68 (poster,sažetak,znanstveni).

44. Despotović, Ines; Kovačević, Borislav; Maksić, Zvonimir.
U potrazi za novim organskim superbazama - piridin i triazin kao građevni elementi // XX. hrvatski skup kemičara i kemijskih inženjera - Knjiga sažetaka / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007. (poster,sažetak,znanstveni).

45. Kovačević, Borislav; Maksić, Zvonimir.
Phosphines as record-holder superbases in the gas phase and acetonitrile // XX. jubilarni hrvatski skup kemičara i kemijskih inženjera : Knjiga sažetaka = Book of abstracts / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007. (poster,međunarodna recenzija,sažetak,znanstveni).

46. Maksić, Zvonimir; Vianello, Robert.
The Physical Origin of Chemical Phenomena - Interpretation by Triadic Formula // Molecular Quantum Mechanics - Analytic Gradients and Beyond : Abstracts of an International Conference in Honor of Professor Peter Pulay.
Budimpešta, 2007. (poster,međunarodna recenzija,sažetak,znanstveni).

47. Maksić, Zvonimir; Vianello, Robert; Peran, Nena.
Hydride affinities of some unsaturated small organic molecules : triadic analysis // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences : Book of abstracts / Babić, Darko ; Došlić, Nađa ; David, Smith ; Tomić, Sanja ; Kristijan, Vlahoviček (ur.).
Zagreb : Institut Ruđer Bošković, 2007. 79-79 (poster,sažetak,znanstveni).

48. Peran, Nena; Maksić, Zvonimir; Vianello, Robert.
Hydride Affinities And Hydride Shift in Some Substituted Benzenes // Book of Abstracts of the 15th European Symposium on Organic Chemistry / Guiry, Pat ; Mooney Ann (ur.).
Dublin, 2007. 309-309 (poster,sažetak,znanstveni).

49. Peran, Nena; Vianello Robert; Maksić Zvonimir.
Trihotomna analiza hidridnih afiniteta nekih alkena, alkina i karbonila // XX. Jubilarni hrvatski skup kemičara i kemijskih inženjera – knjiga sažetaka / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2007. (poster,sažetak,znanstveni).

50. Peran, Nena; Vianello, Robert; Maksić, Zvonimir B.
Hydride Affinities of Some Unsaturated Small Organic Molecules - Triadic Analysis // Book of Abstracts of 11^th European Symposium on Organic Reactivity / Goncalves, Pedro, M. L. ; Cristiano, M. Lurdes S. (ur.).
Faro : Grafica Comercial, Lda, 2007. 187 (poster,međunarodna recenzija,sažetak,znanstveni).

51. Vianello, Robert; Maksić, Zvonimir.
Interpretation of the intrinsic molecular reactivity using triadic formula // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences : Book of Abstracts / Babić, Darko ; Došlić, Nađa ; David, Smith ; Tomić, Sanja ; Kristijan, Vlahoviček (ur.).
Zagreb : Institut Ruđer Bošković, 2007. 49-49 (pozvano predavanje,sažetak,znanstveni).

52. Vianello, Robert; Maksić, Zvonimir.
Prediction of new organic superacids by computational chemistry // Book of Abstracts of the15th European Symposium on Organic Chemistry / Guiry, Pat ; Mooney, Ann (ur.).
Dublin, 2007. 421-421 (poster,međunarodna recenzija,sažetak,znanstveni).

53. Vianello, Robert; Maksić, Zvonimir.
Prediction of new organic superacids by computational chemistry // XX. Jubilarni hrvatski skup kemičara i kemijskih inženjera – knjiga sažetaka / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007. (poster,sažetak,znanstveni).
Vrh
 
  Neobjavljena sudjelovanja na skupovima
 

1. Peran, Nena.
Acidity and Basicity of alpha-Amino Acids by the COSMO, COSMO-RS and Modified Cluster-Continuum Methods. Part 1. Glycine, Alanine and Proline // .
Split, 2010. (predavanje,međunarodna recenzija,ppt prezentacija,znanstveni).

2. Vianello, Robert.
Računalom do novih superkiselina // Festival znanosti 2009.
(pozvano predavanje,neobjavljeni rad,stručni). URL link to work
Vrh
 

Zbog završnih aktivnosti vezano uz migraciju CROSBI-ja na CroRIS platformu unos i uređivanje zapisa neće biti moguć u razdoblju od petka 7.7.2023. u 12 sati do ponedjeljka 11.7.2023.

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