Academic Degree:
Ph.D. in theoretical chemistry, Zagreb, 31.10.1994.
Present positions: Assistant Professor at the Faculty of Food
Technology and Biotechnology
Previous positions:
- Higher Assistant at the Faculty of Food Technology and Biotechnology,
Pierottijeva 6, HR-10000 Zagreb, 1996.
- Higher assistant, Quantum Chemistry Group, The "Rudjer Boskovic"
Institute, Zagreb, 1994.
- Research assistant, Department of Physical Chemistry, The "Rudjer
Boskovic" Institute, Zagreb, 1992.
Professional Activities:
- Member of the Croatian Chemical Society
- Member of the Croatian Pugwash Society Member of the Board of
Governors of the "Jelen"d.d. 1992-93
- Member of the Board of Governors of the "Tehnokolor"d.d. 1993-95
- Leader of project - Croatian Chemical Server 1996-98
- Member of the Organizing Committee of The XVI Croatian Meeting
of Chemists and Chemical Engineers February 23 26, 1999., Split,
Croatia
- Member of the Organizing Committee of The First International
Dubrovnik NMR Course, June 27-30, 1999, Dubrovnik, Croatia
- Member of the Organizing Committee of The First International
Dubrovnik NMR Course, June 27-30, 1999, Dubrovnik, Croatia
- Co-director of The 2'nd International NMR Course, 1999, Dubrovnik,
Croatia
- Co-director of The 3rd International Dubrovnik NMR Course &
Conference, June 26- July 1, 2000, Dubrovnik, Croatia
Awards:
- Rector's award for outstanding achievements in scientific research
as a student (1987)
Skills:
- Prediction of Structure and Reactivity
- Computational Chemistry
- NMR and ESCA Quantum Chemical Interpretation
- Semiempirical and Ab Initio Investigation
- Molecular Modeling
- Molecular Graphics
- Molecular Design
- Computer Programing
- Networking
- Database Design and Management
- Unix System Administration
- Expert in Using Many Chemical Program Packages (Gaussian, Gamess,
Mopac, Ampac, Amosol, Mobosol, Zindo, HyperChem, SCC, MM2, MM2PI,
MMX, Alchemy ...)
Field of Interests:
- Drug Design
- Molecular Modeling
- Molecular Graphics
- Prediction of Protein Structure
- Investigation of Biological Activity
- Spectroscopy NMR, IR, Raman and ESCA
- Computational Prediction of Molecular Reactivity
- Genetic Algoritams
- LogP
- Hybrid Methods in Drug Design
List of publications:
Z. B. Maksic, D. Kovacek and B. Vidic: "Diamagnetic Susceptibilities
in some linear Van der Waals Complexes using the Promolecule Model",
Chem. Phys. Lett., 129, 619-623 (1986).
2) Z. B. Maksic, B. Vidic and D. Kovacek: "Second Moments and
Diamagnetic Susceptibilities in Van der Waals Complexes by the
Promolecule Model", J. Mol. Structure (THEOCHEM), 150, 77 (1987).
3) Z. B. Maksic, M. Eckert-Maksic and D. Kovacek: "Semiempirical
Study of Intramolecular Hydrogen Bond in Naphthazarin", Croat.
Chem. Acta, 62, 623 (1989).
4) D. Kovacek and Z. B. Maksic: "Molecular Second Moments and
Diamagnetic Susceptibilities. Reparametrization of Independent
Atom Model Formulas", Croat. Chem. Acta, 62, 749 (1989).
5) M. Eckert-Maksic, M. Hodoscek, D. Kovacek, D. Mitic, Z. B.
Maksic and K. Poljanec: "Mills-Nixon Effect in Benzocyclobutenes",
J. Mol. Structure (THEOCHEM), 65, 89 (1990).
6) M. Eckert-Maksic, M. Hodoscek, D. Kovacek, Z. B. Maksic and
K. Poljanec: "Strong Mills-Nixon Effect in Biphenylene", Chem.
Phys. Lett., 171, 49 (1990).
7) Z. B. Maksic, D. Kovacek and T. Suste: "Semiempirical Calculations
of ESCA Shifts in Oxygen, Nitrogen, Fluorine and Silicon Inner-core
Levels by the AM1-AMEP Model", J. Mol. Struct. (THEOCHEM), 247,
305 (1991).
8) Z. B. Maksic, M. Eckert-Maksic, D. Kovacek. M. Hodoscek, K.
Poljanec and J. Kudnig: "Is Mills-Nixon Effect Operative in Perfluorobenzo
(1,2:3,4:5,6) tricyclobutene?", J. Mol. Struct. (THEOCHEM), 234,
201 (1991).
9) Z. B. Maksic, M. Eckert-Maksic, M. Hodoscek, W. Koch and D.
Kovacek: "Theoretical Studies of the Mills-Nixon Effect", in "Molecules
in Natural Science and Medicine. An Encomium for Linus Pauling",
Z.B. Maksic and M. Eckert-Maksic, Eds., Ellis Horwood, Chichester,
1991, p. 333.
10) Z. B. Maksic, M. Eckert-Maksic, D. Kovacek and D. Margetic:
"Strong Mills-Nixon Effect in Benzocyclobutadienes", J. Mol. Struct.
(THEOCHEM) 260, 241 (1992).
11) M. Hodoscek, D. Kovacek and Z. B. Maksic: "Theoretical Study
of Mills-Nixon Effect in Naphtho- cyclobutenes and -cyclobutadienes",
Theoret. Chim. Acta, 86, 343 (1993).
12) M. Hodoscek, D. Kovacek and Z. B. Maksic: "Influence of Substituents
on the Mills-Nixon Effect in some Naphthodicyclobutenes and Naphthodicyclobutadienes",
J. Mol. Struct. (THEOCHEM), 281, 213 (1993).
13) D. Kovacek, D. Margetic and Z. B. Maksic: "Semiempirical AM1
Study of the Strucutral Properties in some Large Fused Molecular
Systems", J. Mol. Struct. (THEOCHEM), 285, 195 (1993).
14) Z. B. Maksic, D. Kovacek, K. Kovacevic and Z. Medven: "Semiempirical
Calculations of the ESCA Chemical Shifts of Nitrogen Atoms in
Chemical Environments - Failure of the PM3 and AM1 Methods", J.
Mol. Struct. (THEOCHEM), 304, 151 (1994).
15) D. Kovacek, K. Kovacevic, D. Korenic and Z. B. Maksic: "Critical
Appraisal of the Semiempirical Wavefunctions by Calculating ESCA
Chemical Shifts - Inner-shell Binding Energies in Halogen Atoms",
J. Mol. Struct. (THEOCHEM), 304, 163 (1994).
16) D. Kovacek, Z. B. Maksic, S. Elbel and J. Kudnig: "Semiempirical
Calculation of 29Si-NMR Chemical Shifts and 29Si-13C Spin-spin
Coupling Constants in some Substituted Bridgehead Polycycloalkanes",
J. Mol. Struct. (THEOCHEM), 304, 247 (1994).
17) D. Kovacek, Z. B. Maksic, I. Petanjek and I. Basic: "Semiempirical
Calculation of the ESCA Chemical Shifts of the Group IVA Elements
in Chemical Environment", J. Mol. Struct. (THEOCHEM), 305, 261
(1994). 18) Z. B. Maksic, D. Kovacek, M. Eckert-Maksic, M. Böckmann
and M. Klessinger: "Linear vs. Angular Phenylenes - An Interplay
of Aromaticity, Antiaromaticity and Baeyer Strain in Fused Molecular
Systems", J. Phys. Chem., 99, 6410 (1995).
19) Z. B. Maksic, D. Kovacek and B. Kovacevic: "Further Evidence
for Existence of the Mills-Nixon Effect - Ab initio study of the
Elctrophilic Reactivity in Heteroanalogs of Benzocyclopropene",
Electr. J. Theoret. Chem., 1, 65 (1996).
20) M. Eckert-Maksic, M. Klessinger, D. Kovacek and Z.B. Maksic:
"Model Calculations on the Electrophilic Reactivity of fused Aromatics.
The influence of the OH Substituent", J. Phys. Org. Chem., 9,
269 (1996).
21) Z. B. Maksic, D. Kovacek, M. Eckert-Maksic and I. Zrinski:
"Theoretical Study of Additivity of the Deprotonation Energies
in Aromatics: I. Disubstituted Benzenes", J. Org. Chem., 61, (1996)
6717-6719.
22) D. Kovacek, Z. B. Maksic and I. Novak: "Additivity of the
Proton Affinity in Aromatics: Fluorinated Naphthalenes", J. Phys.
Chem. A, 101, 1147 (1997).
23) M. Eckert-Maksic, M. Hodoscek, D. Kovacek, Z.B. Maksic and
M. Primorac: "Theoretical Model Calculations of the Absolute Proton
Affinities of Benzonitrile, Nitroso- and Nitrobenzene", J. Mol.
Struct. (Theochem), 417, 131-143 (1997).
24) Z.B. Maksic, K. Kovacevic and D. Kovacek: "A Simple Ab Initio
Model for Calculating the Absolute Proton Affinity of Aromatics",
J. Phys. Chem. A, 101, 7446-7453 (1997).
25) Z.B. Maksic, M. Eckert-Maksic, D. Kovacek, I. Petanjek and
I. Novak: "In Quest of the Elusive Cyclobutadiene Moiety - Ab
Initio Study of some Fused Benzoquinones", Angew. Chem.
26) D. Kovacek, S. Kucina-Softic, Z.B. Maksic and M. Primorac:
"Ab Initio Study of the Absolute Proton Affinity in Substituted
Benzenes Involving OCH3, CHO, COOH, CF3 and Cl Substituents",
Electr. J. Theoret. Chem.
27) M. Eckert-Maksic, D. Kovacek, Z.B. Maksic, M. Böckmann, M.
Klessinger and I. Novak: "Spatial and Electronic Structure of
some [4n]annuleno[4n+2]annulenes - Trapping the Elusive Cyclobutadiene
Fragment", preprint.
28) Z.B. Maksic, M. Eckert-Maksic and D. Kovacek: "Structure of
Aromatic Molecules Fused to Small Ring(s)", in Theoretical Organic
Chemistry, C. Parkanyi, Ed., Elsevier, 1997, in print.
29) P. Novak, D. Vikic-Topic, D. Kovacek and Z. Meic: "Intrinsic
Long Range Deuterium-Induced Isotope Effects in NMR spectra as
a Conformational Probe in Benzene Derivatives", J. Org. Cham.,
in print.
30) T. K. Dargel, R. H. Hertwig, M. C. Holthausen, W. Koch, D.
Kovacek and Z. B. Maksic: Structural Changes in Small Hydrocarbon
Rings Induced by Fluorination: A Quantum Chemical Study, preprint.
Review Articles:
1) Z. B. Maksic, M. Eckert-Maksic, M. Hodoscek, W. Koch and D.
Kovacek: "Theoretical Studies of the Mills-Nixon Effect", in "Molecules
in Natural Science and Medicine. An Encomium for Linus Pauling",
2) Z.B. Maksic and M. Eckert-Maksic, Eds., Ellis Horwood, Chichester,
1991, p. 333. Z.B. Maksic, M. Eckert-Maksic and D. Kovacek: "Structure
of Aromatic Molecules Fused to Small Ring(s)", in Theoretical
Organic Chemistry, C. Parkanyi, Ed., Elsevier, 1997, in print.
Lecturing:
Untergraduate course:
"Computer Programming in Chemistry"
"General Chemistry Chemistry