Damir Kovacek



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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”