Croatian scientific bibliography (CROSBI), 2002--2007



Zvonimir Maksic
(27555)

 
 
 

 
  Book chapters
 

1. Eckert-Maksic, Mirjana; Maksic, Zvonimir.
Antiaromaticity and Aromaticity in Carbocyclic Four-membered Rings // The Chemistry of Cyclobutanes / Rappoport, Zvi ; Liebman, Joel F., editor(s).
Chichester : Wiley, John, 2005.
 
  Scientific papers in CC journals
 

1. Despotovic, Ines; Maksic, 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 (journal article).

2. Vianello, Robert; Peran, Nena; Maksic, 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 (journal article).

3. Eckert-Maksic, Mirjana; Vazdar, Mario; Barbatti, Mario; Lischka, Hans; Maksic, Zvonimir B.
Automerization reaction of cyclobutadiene and its barrier height - An ab initio benchmark multireference average-quadratic coupled cluster study. // Journal of Chemical Physics. 125 (2006) , 6; 064310 (journal article).

4. Knezevic, Andrea; Maksic, Zvonimir.
The absolute proton affinity and the second order hyperpolarizability of some condensed linear aromatics and zetrenes. // New Journal of Chemistry. 30 (2006) , 2; 215-222 (journal article).

5. Kovacevic, Borislav; Maksic, Zvonimir.
High Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations. // Chemical Communications. 14 (2006) ; 1524-1526 (journal article).

6. Kovacevic, Borislav; Maksic, Zvonimir.
High basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study. // Tetrahedron Letters. 47 (2006) ; 2553-2555 (journal article).

7. Maksic, Zvonimir; Baric, Danijela; Muller, Thomas.
Clar's Sextet Rule Is a Consequence of the Sigma-Electron Framework. // The Journal of Physical Chemistry A. 110 (2006) , 33; 10135-10147 (journal article).

8. Maksic, Zvonimir; Vianello, Robert.
Comment on the paper "On the Limits of Highest-Occupied Molecular Orbital Driven Reactions: The Frontier Effective-for-Reaction Molecular Orbital Concept". // The Journal of Physical Chemistry A. 110 (2006) ; 10651-10652 (comment).

9. Vianello, Robert; Maksic, Zvonimir.
Triadic analysis of substituent effects - gas-phase acidity of para-substituted phenols. // Tetrahedron. 62 (2006) ; 3402-3411 (journal article).

10. Vianello, Robert; Maskill, Howard; Maksic, Zvonimir.
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 (2006) ; 2581-2589 (journal article).

11. Baric, Danijela; Kovacevic, Borislav; Maksic, Zvonimir; Mueller, Thomas.
A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes. // Journal of Physical Chemistry A. 109 (2005) , 46; 10594-10606 (journal article).

12. Baric, Danijela; Maksic, Zvonimir.
On the origin of Baeyer strain in molecules - an ab initio and DFT analysis. // Theoretical Chemistry Accounts. 114 (2005) , 1-3; 222-228 (journal article).

13. Gattin, Zrinka; Kovacevic, Borislav; Maksic, Zvonimir B.
Cooperative intramolecular hydrogen bonding effect and basicity - An ab initio and DFT study of the superbasic properties of N-dimethylaminoalkyl-2, 3-diamino-cyclopropeneimines. // European Journal of Organic Chemistry. - (2005) ; 3206-3213 (journal article).

14. Kovacevic, Borislav; Rozman, Marko; Klasinc, Leo; Srzic, Dunja; Maksic, Zvonimir; Yánez, Manuel.
Gas phase structure of protonated histidine and histidine methyl ester - a combined experimental mass spectrometry and theoretical ab initio study. // Journal of Physical Chemistry A. 109 (2005) ; 8329-8335 (journal article).

15. Mo, Otilia; Yanez, Manuel; Eckert-Maksic, Mirjana; Maksic, Zvonimir; Alkorta, Ibon; Elguero, Jose.
Periodic trends in bond dissociation energies. A theoretical study. // Journal of Physical Chemistry A. 109 (2005) ; 4359-4365 (journal article).

16. Raab, Volker; Gauchenova, Ekaterina; Merkoulov, Alexei; Harms, Klaus; Sundermeyer, Jorg; Kovacevic, Borislav; Maksic, Zvonimir.
1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge". // Journal of the American Chemical Society. 127 (2005) , 45; 15738-15743 (journal article).

17. Vianello, Robert; Maksic, Zvonimir.
Acidities of Azoles in the Gas Phase and in DMSO - An Ab Initio and DFT Study. // Molecular Physics. 103 (2005) ; 209-219 (journal article).

18. Vianello, Robert; Maksic, Zvonimir.
Gas-phase acidity of para-substituted benzoic acids - a triadic analysis of substituent effects. // Journal of Physical Organic Chemistry. 18 (2005) ; 699-705 (journal article).

19. Vianello, Robert; Maksic, Zvonimir.
Hydride Affinities of Borane Derivatives: Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula. // Inorganic Chemistry. 44 (2005) ; 1095-1102 (journal article).

20. Vianello, Robert; Maksic, Zvonimir.
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 (2005) ; 3571-3580 (journal article).

21. Vianello, Robert; Maksic, Zvonimir.
Extremal Acidity of Rees Polycyanated Hydrocarbons in the Gas Phase and DMSO - a Density Functional Study. // Chemical Communications. 27 (2005) ; 3412-3414 (journal article).

22. Vianello, Robert; Maksic, Zvonimir.
Towards highly powerful neutral organic superacids - a DFT study of some polycyano derivatives of planar hydrocarbons. // Tetrahedron. 61 (2005) , 39; 9381-9390 (journal article).

23. Vianello, Robert; Maksic, Zvonimir B.
High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations. // Tetrahedron Letters. 46 (2005) ; 3711-3713 (journal article).

24. Alkorta, Ibon; Elguero, Jose; Eckert-Maksic, Mirjana; Maksic, Zvonimir B.
Influence of the H/F Replacement on the Homoaromaticity of Homotropylium Ion: a GIAO/DFT Theoretical Study. // Tetrahedron. 60 (2004) ; 2259-2265 (journal article).

25. Antol, Ivana; Eckert-Maksic, Mirjana; Lischka, Hans; Maksic, Zvonimir B.
On the Bond-Stretch Isomerism in Benzo[1, 2:4, 5]dicyclobutadiene System - An Ab Initio MR-AQCC Study. // ChemPhysChem. 5 (2004) ; 975-981 (journal article).

26. Baric, Danijela; Maksic, Zvonimir B.; Vianello, Robert.
On the Atomic Additivity of the Zero Point Vibrational Energy in Molecules. // Journal of molecular structure: THEOCHEM. 1-3 (2004) , 672; 201-207 (journal article).

27. Kovacevic, Borislav; Baric, Danijela; Maksic, Zvonimir B.
Basicity of Exceedingly Strong Non-ionic Organic Bases in Acetonitrile - Verkade's Superbase and Some Related Phosphazenes. // New Journal of Chemistry. 28 (2004) ; 284-288 (journal article).

28. Kovacevic, Borislav; Baric, Danijela; Maksic, Zvonimir; Mueller, Thomas.
Dominant Role of the Pi Framework in Cyclobutadiene. // Journal of Physical Chemistry A. 108 (2004) ; 9126-9133 (journal article).

29. Kovacevic, Borislav; Baric, Danijela; Maksic, Zvonimir; Müller, Thomas.
The Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene. // ChemPhysChem. 5 (2004) ; 1352-1364 (journal article).

30. Maksic, Zvonimir B.; Vianello, Robert.
Tailoring of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Fulvene Derivatives. // New Journal of Chemistry. 28 (2004) ; 843-846 (journal article).

31. Maksic, Zvonimir; Vianello, Robert.
Design of Strong Neutral Organic Superacids: DFT-B3LYP Calculations on some Isobenzofulvene Derivatives. // European Journal of Organic Chemistry. 9 (2004) ; 1940-1945 (journal article).

32. Maksic, Zvonimir; Vianello, Robert.
Extending Acidity Ladder of Neutral Organic Superacids - A DFT-B3LYP Study of Deprotonation of Nonacyanofluorene. // Tetrahedron Letters. 45 (2004) ; 8663-8666 (journal article).

33. Palacios, Alicia; Martin, Fernando; Mo, Otilia; Yanez, Manuel; Maksic, Zvonimir B.
Stable Dications Formed by Direct Attachment of Alpha Particles to HCN and HNC. // Physical Review Letters. 92 (2004) , 13; 001-004 (journal article).

34. Sleno, Lekha; Kovacevic, Borislav; Maksic, Zvonimir B.; Volmer, Dietrich A.
Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin. // Journal of the American Society for Mass Spectrometry. 15 (2004) ; 462-477 (journal article).

35. Vianello, Robert; Kovacevic, Borislav; Ambrozic, Gabriela; Mavri, Janez; Maksic, Zvonimir.
Hydrogen Bonding in Complex of Serine With Histidine: Computational and Spectroscopic Study of Model Compounds. // Chemical Physics Letters. 400 (2004) ; 117-121 (journal article).

36. Vianello, Robert; Liebman, Joel F.; Maksic, Zvonimir.
In Search of Ultrastrong Bronsted Neutral Organic Superacids - A DFT Study of some Cyclopentadiene Derivatives. // Chemistry-A European Journal. 10 (2004) ; 5751-5761 (journal article).

37. Vianello, Robert; Maksic, Zvonimir.
Acidity of Bronsted CH Acids in DMSO - The Extreme Acidity of Nonacyanocyclononatetraene. // European Journal of Organic Chemistry. 24 (2004) ; 5003-5010 (journal article).

38. Baric, Danijela; Maksic, Zvonimir B.
Nonadditivity of the Static Correlation Energy of pi-Electrons in Planar Molecules as a Manifestation of Anti/aromaticity. // Journal of Physical Organic Chemistry. 16 (2003) , 10; 753-763 (journal article).

39. Baric, Danijela; Maksic, Zvonimir B.
Atomic Additivity of the Correlation Energy in Molecules by the DFT-B3LYP Scheme. // Journal of Physical Chemistry A. 107 (2003) , 51; 11577-11586 (journal article).

40. Baric, Danijela; Maksic, Zvonimir B.; Yanez, Manuel.
Atomic Additivity of the Correlation Energy in Molecules - An Ab Initio MP4 and G3 Study. // Molecular Physics. 101 (2003) ; 1377-1387 (journal article).

41. Despotovic, Ines; Eckert-Maksic, Mirjana; Maksic, Zvonimir B.; Smith, David M.
In Pursuit of the Elusive Bond-stretch Isomers by Ab Initio Methods - Benzocyclobutadiene, Benzo[1, 2:4, 5]dicyclobutadiene and Some Related Substituted Systems. // Journal of Physical Chemistry A. 107 (2003) , 48; 10396-10405 (journal article).

42. Kovacevic, Borislav; Maksic, Zvonimir B.; Primorac, Miljenko.
Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy, Trifluoromethyl and Trifluoromethoxy Groups by Novel Trichotomy Formula. // European Journal of Organic Chemistry. 19 (2003) , 18; 3777-3783 (journal article).

43. Raab, Volker; Harms, Klaus; Sundermeyer, Jorg; Kovacevic, Borislav; Maksic, Zvonimir B.
1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory. // Journal of Organic Chemistry. 68 (2003) , 23; 8790-8797 (journal article).

44. Vianello, Robert; Maksic, Zvonimir B.
A Combined Ab Initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals. // Collection of Czechoslovak Chemical Communications. 68 (2003) , 12; 2322-2334 (journal article).

45. Baric, Danijela; Maksic, Zvonimir B.
The Additivity of the Correlation Energy in Organic 3D Molecules. // Journal of Physical Chemistry A. 106 (2002) , 8; 1612-1618 (journal article).

46. Kovacevic, Borislav; Glasovac, Zoran; Maksic, Zvonimir B.
The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of Neutral Organic Molecule: N, N', N''-tris(3-aminopropyl)guanidine and Some Related Systems. // Journal of Physical Organic Chemistry. 15 (2002) , 11; 765-774 (journal article).

47. Kovacevic, Borislav; Liebman, Joel F.; Maksic, Zvonimir B.
Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion. // Journal of Chemical Society Perkin Trans 2. 9 (2002) , -; 1544-1548 (journal article).

48. Kovacevic, Borislav; Maksic, Zvonimir B.
The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study. // Chemistry - A European Journal. 8 (2002) , 7; 1694-1702 (journal article).

49. Kovacevic, Borislav; Maksic, Zvonimir B.; Vianello, Robert; Primorac, Miljenko.
Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding. // New Journal of Chemistry. 26 (2002) ; 1329-1334 (journal article).

50. Maksic, Zvonimir B.; Glasovac, Zoran; Despotovic, Ines.
Predicted high proton affinity of poly-2, 5-dihydropyrrolimines-the aromatic domino effect. // Journal of Physical Organic Chemistry. 15 (2002) , 8; 499-508 (journal article).

51. Maksic, Zvonimir B.; Vianello, Robert.
Quest for the Origin of Basicity: Initial vs. Final State Effect in Neutral Nitrogen Bases. // Journal of Physical Chemistry A. 106 (2002) ; 419-430 (journal article).

52. Maksic, Zvonimir B.; Vianello, Robert.
Anionic vs. Neutral Protonation - An Ab Initio Analysis with a Triadic Formula. // ChemPhysChem. 3 (2002) , 8; 696-700 (journal article).

53. Maksic, Zvonimir B.; Vianello, Robert.
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 (2002) ; 6515-6520 (journal article).

54. Smith, David M.; Maksic, Zvonimir B.; Maskill, Howard.
Designing Aryl Cations for Direct Observation in Solution: Ab Initio MO Calculations of UV Spectra. // Journal of the Chemical Society-Perkin Tansactions 2. 5 (2002) , -; 906-913 (journal article).

55. Vianello, Robert; Kovacevic, Borislav; Maksic, Zvonimir B.
In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives. // New Journal of Chemistry. 26 (2002) ; 1324-1328 (journal article).
 
  Invited lectures
 

1. Kovacevic, Borislav; Maksic, Zvonimir B.
Computational Design of Highly Potent Organic Superbases // NIC Symposium 2004 / Wolf, Dietrich ; Muenster, Gernot ; Kremer, Manfred, editor(s).
Juelich, Njemacka : NIC-Directors, Research Centre Juelich, 2004. 71-80 (invited talk).

2. Maksic, Zvonimir.
Design of Neutral Organic Superbases and Superacids Ex Machina // Sazeci = Abstracts / XVIII. hrvatski skup kemicara i kemijskih inzenjera / Zrncevic, Stanka, editor(s).
Zagreb : Hrvatsko drustvo kemijskih inzenjera i tehnologa : Hrvatsko kemijsko drustvo : Hinus, 2003. (invited talk).
 
  Abstracts in Book of abstracts and unpublished papers
 

1. Eckert-Maksic, Mirjana; Vazdar, Mario; Barbatti, Mario; Lischka, Hans; Maksic, Zvonimir B.
Automerization of Cyclobutadiene and its Barrier Height-An Ab Initio Study // 3rd Meeting of the COST working group D26/0014/03 INTRINSIC REACTIVITY OF NEW MOLECULAR MATERIALS / Eckert-Maksic, Mirjana, editor(s).
Zagreb : Institut Rudjer Boskovic, 2006. (abstract).

2. Vianello, Robert; Maksic, Zvonimir.
The structure and acidity of 20 alpha-amino acids in the gas-phas // XIX. hrvatski skup kemicara i kemijskih inzenjera - sazeci.
(abstract).

3. Eckert-Maksic, Mirjana; Vazdar, Mario; Barbatti, Mario; Lischka, Hans; Maksic, Zvonimir.
Automerization of Cyclobutadiene and its Barrier Height-An Ab Initio Study // 10th European Symposium on Organic Reactivity, Book of Abstracts / Speranza, Maurizio, editor(s).
Rome, Italy, 2005. 192 (abstract).

4. Kovacevic, Borislav; Maksic, Zvonimir B.
Design of organic superbases - The influence of hydrogen bond // 2nd Central European Symposium on Theoretical Chemistry.
Nove Hrady, Ceska (abstract).

5. Baric, Danijela; Maksic, Zvonimir.
Additivity of the Correlation Energy in Some 3D Organic Molecules // XVIII. Hrvatski skup kemicara i kemijskih inzenjera - sazeci / Zrncevic, Stanka ; Zrncic, Hrvoje, editor(s).
Zagreb : HDKI-HKD-HINUS, 2003. (abstract).

6. Baric, Danijela; Maksic, Zvonimir B.
Nonadditivity of the Static Correlation Energy of pi-Electrons in Planar Molecules as a Manifestation of Anti/Aromaticity // 2nd Central European Symposium on Theoretical Chemistry.
Nove Hrady, Ceska, 2003. (abstract).

7. Baric, Danijela; Maksic, Zvonimir B.; Yanez, Manuel.
Atomic Additivity of the Correlation Energy in Molecules - An ab initio MP(n) and G3 Study // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts.
Bonn, Njemacka, 2003. (abstract).

8. Kovacevic, Borislav; Glasovac, Zoran; Maksic, Zvonimir.
The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of N, N’ ; N’ ; -tris(3-aminopropyl)guanidine and Some Related Systems // XVIII. Hrvatski skup kemicara i kemijskih inzenjera : sazeci / Zrncevic, Stanka ; Zrncic, Hrvoje, editor(s).
Zagreb : HDKI-HKD-HINUS, 2003. (abstract).

9. Kovacevic, Borislav; Maksic, Zvonimir B.; Vianello, Robert.
Design of Organic Superbases and Superacids in silico // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts.
Bonn, 2003. A86 (abstract).

10. Maksic, Zvonimir B.; Vianello, Robert.
Design of Neutral Organic Superacids by Computational Quantum Chemistry // 12th Central European Symposium on Theoretical Chemistry.
Nove Hrady, 2003. (abstract).

11. Maksic, Zvonimir; Vianello, Robert.
Tailoring Neutral Organic Superacids by Computational Quantum Chemistry - The Aromatic Effect // XVIII. Hrvatski skup kemicara i kemijskih inzenjera - sazeci / Zrncevic, Stanka ; Zrncic, Hrvoje, editor(s).
Zagreb : HDKI-HKD-HINUS, 2003. (abstract).

12. Maksic, Zvonimir; Vianello, Robert.
How Good is Koopmans' Approximation? - G2(MP2) Study of the Vertical and Adiabatic Ionization Potentials of Some Small Molecules // 6th World Congress of Theoretically Oriented Chemists WATOC 2002.
Lugano, 2002. (abstract).
 
  Other papers
 

1. Maksic, Zvonimir.
Design of Neutral Organic Superbases and Superacids Ex Machina, 2003.
 
  Mentoring
 

1. Baric, Danijela.
Aditivnost energije korelacije elektrona organskih molekula / doctoral thesis.
Zagreb : PMF, 16.07. 2003, 69 pages. Mentor: Maksic, Zvonimir.

2. Vianello, Robert.
Interakcije Lewisovih kiselina i baza / doctoral thesis.
Zagreb : Prirodoslovno-matematicki fakultet, 05.11. 2003, 105 pages. Mentor: Maksic, Zvonimir.

3. Baric, Danijela.
Korelacijska energija pi elektrona planarnih molekula / master thesis.
Zagreb : Prirodoslovno-matematicki fakultet, 24. 12. 2002., 60 pages. Mentor: Maksic, Zvonimir.

4. Despotovic, Ines.
Struktura i svojstva nekih polibenzenoidnih sustava / doctoral thesis.
Zagreb : Prirodoslovno-matematicki fakultet, 16.12. 2002, 77 pages. Mentor: Maksic, Zvonimir.