Curriculum vitae

Mati Karelson

NAME: Mati Karelson
ADDRESS: Department of Chemistry, University of Tartu, Tartu, Estonia,
POSITION: Professor & Head of Theoretical Chemistry, University of Tartu
BIRTH: December 27, 1948; Tartu, Estonia
MARITAL STATUS: Married, two children
EDUCATION: B.Sc., 1972, Tartu State University, Tartu, Estonia; Ph.D., 1975, Tartu State University, Tartu, Estonia


1972-1975 Research Fellow, Department of Chemistry, Tartu State University
1975-1985 Senior Research Fellow, Department of Chemistry, Tartu State University
1980 Visiting Scientist, King's College, University of London, U.K.
1985-1989 Head of Division of Theoretical and Physical Organic Chemistry, Laboratory of Chemical Kinetics and Catalysis, Tartu University
1985-1986 Visiting Scientist, University of Florida, Florida, U.S.A.
1988-1992 Head of Laboratory of Chemical Kinetics and Catalysis, Tartu University
1989-1990 Visiting Scientist, University of Florida, Florida, U.S.A.
1993-1996 Visiting Professor, Christian-Albrechts-Universität Kiel, Germany
1993-1996 Visiting Professor, University of Florida, Florida, U.S.A.
1993-1997 Visiting Professor, Max-Planck-Institute of Astrophysics, Germany
1997 Visiting Professor, Oxford University, United Kingdom
1992-present Professor & Head, Chair of Theoretical Chemistry, University of Tartu

Editorial Board, Organic Reactivity, 1986-present
Proceedings of Estonian Academy of Sciences (Chemistry) 1996-present
International Journal of Quantum Chemistry, 1992-1996
Member, International Society of Quantum Biology and Pharmacology
Member, Estonian Academic Chemical Society
Courtesy Professor in Chemistry, University of Florida, U.S.A.
Chairman of Council, Tartu Science Park
National Co-ordinator, European Cooperation in the Field of Scientific and Technical Research (COST)
Member, COST Senior Officials Committee, Brussels
Member of Management Committee, EU Research Action D3 "Theory and Modelling of Chemical Systems and Processes"
Referee for: Journal of the American Chemical Society, The Journal of Physical Chemistry, Journal of Chemical Information and Computer Sciences, Computer Physics Communications,, International Journal of Quantum Chemistry and others
International referee: Professorship in Physical Chemistry (Jyväskylä University, Finland), Professorship in Organic Chemistry (Joensuu University, Finland). External Member, Doctoral Committee in Theoretical Chemistry, Uppsala University (Sweden). Nominator: 1997 Nobel Prize in Chemistry.

Quantum theory of condensed disordered media; Solvent effects on spectra and chemical reactivity; Theoretical modelling of chemical reaction kinetics and equilibria; Artificial intelligence in chemistry; Quantitative structure-activity/property relationships; Chemical software development; Molecular design of novel chemical compounds and technological processes; Properties of electrolyte solutions; Heterocyclic chemistry; Organic conductive polymers.

211th ACS National Meeting, New Orleans, LA, March 1996; "Recent Advances in Computational Quantum Chemistry, München, April 1996; NATO Advanced Study Institute (8 h keynote lectures) "Molecules in Different Environments", Bad Windsheim, August 1996; 125th COST Senior Officials Committee Meeting, Brussels, October 1996; 23rd Estonian Chemistry Days, May 1997; "Computer Intelligence in Theoretical Chemistry", Garching, October 1997; Winter School in Theoretical Chemistry "Solvation" (6 h keynote lectures), Helsinki, December 1997.

TEACHING (University of Tartu, L = lecture, S = seminar, in academic hours /45 min./)

Basic courses

  1. Theoretical Chemistry (32L + 32 S)
  2. Theoretical Foundations of Instrumental Analysis (40L + 80S )

Degree courses

  1. Advanced Quantum Chemistry (48L + 64S)
  2. Modern Methods of Quantum Chemistry (15L + 15S)
  3. Quantum Biology and Quantum Pharmacology (15L + 15S)
  4. Quantum Theory of Motion (20L + 12S)
  5. Chemometrics (20L + 20S)
  6. Molecular Design (20L + 40S)
  7. Structure-Property Relationships (20S)
  8. Chemical Software (20S)
  9. Magistrate Seminar in Theoretical and Computational Chemistry (190S)
  10. Doctorate Seminar in Theoretical and Computational Chemistry (190S)


Biography: Who is Who in America, Who is Who in the World
International Cultural Diploma of Honor (American Biographical Institute) - 1995
Commemorative Research Fellow, American Biographical Institute - 1996
Honorary Fellow, Florida Center of Heterocyclic Chemistry - 1998

About 130 papers, reviews and monographs in refereed literature of which the following 20 publications are a sample:
1. M.M. Karelson,
Linear Free Energy Relationships of the Ion-Solvent Interaction Parameters,
Org. React., 22, 373-386 (1985).
2. M.M. Karelson,
The Primary Salt Effect on Interionic Reactions,
Org. React., 23, 233-247 (1986).
3. A.R. Katritzky and M. Karelson,
AM1 Calculations of Reaction Field Effects on the Tautomeric Equilibria of Nucleic
Acid Pyrimidine and Purine Bases and Their 1-Methyl Analogues,
J. Am. Chem. Soc., 113, 1561-1566 (1991).
4. M.M. Karelson and M.C. Zerner,
A Theoretical Treatment of Solvent Effects on Spectroscopy,
J. Phys. Chem., 96, 6949-6957 (1992).
5. P. Oksman, G. Fajer, K. Pihlaja, and M. Karelson,
Electron Impact Ionization Mass spectrometry and Intramolecular Cyclization in 2-Substituted Pyrimid(3H)ones,
J. Am. Soc. Mass Spectrom., 5, 113-119 (1994).
6. R. Murugan, M.P. Grendze, J.E. Toomey, Jr., A.R. Katritzky, V.S. Lobanov, P. Rachwal, and M. Karelson,
Predicting physical properties from molecular structure,
CHEMTECH, 24, 17-23 (1994).
7. M. Karelson, K. Pihlaja, T. Tamm, A.Uri, and M.C. Zerner,
UV/Visible Spectra of Some Nitrosubstituted Porphyrins,
J. Photochem. and Photobiol. A Chemistry, 85, 119-126 (1995).
8. T. Jürimäe, M. Strandberg, M. Karelson, and J-L.Calais
A Semiempirical Study of Heterocycle Oligomers and Polymers in Different Dielectric Media
Int. J. Quant. Chem., 54, 369-379 (1995).
9. M. Karelson, V.S. Lobanov, and A.R. Katritzky
Quantum-Chemical Descriptors in QSAR/QSPR Studies
Chemical Reviews, 96, 1027-1043 (1996).
10. M. Karelson
Quantum Chemical Treatment of Molecules in Condensed Disordered Media,
Adv. Quant. Chem., 28 , 227-245 (1997).
11. M. Karelson and G.H.F. Diercksen
Models for Simulating Molecular Properties in Condensed Systems, in: "Problem Solving inComputational Molecular Science: Molecules in Different Environments", S. Wilson andG.H.F. Diercksen (Eds.), Kluwer Academic Publ., Dordrecht, 1997, 215-248.
12. M. Karelson
Molecular Properties and Spectra in Solution in: "Problem Solving in Computational Molecular Science: Molecules in Different Environments", S. Wilson and G.H.F. Diercksen (Eds.), Kluwer Academic Publ., Dordrecht, 1997, 353-387.
13. J. Karwowski and M. Karelson (Eds.)
Recent Advances in Computational Quantum Chemistry, Adv. Quant. Chem., vol. 28,
Academic Press, New York, 1997.
14. U. Maran, T.A. Pakkanen, and M. Karelson
An ab initio Study of the Menshutkin Reaction
J. Mol. Struct. (THEOCHEM), 397 , 263-272 (1997).
15. K. Sak, M. Karelson, and J. Järv
Quantum Chemical Modelling of the Effect of Proline Residues on Peptide Conformation
Int J. Quant. Chem., 66, 391-396 (1998).
16. U. Maran, A.R. Katritzky, and M. Karelson
Theoretical study of aminoalkylation in the Mannich reaction of furan with methyleneimminium salt
Int. J. Quant. Chem. 67, 359-366 (1998).
17 M.C. Menziani, P.G. De Benedetti, and M. Karelson
Theoretical Descriptors in Quantitative Structure-Affinity and Selectivity Relationship Study of Potent N4-Substituted Arylpiperazine 5-HT1A Receptor Antagonists
Bioorg. & Med. Chem., 6, 535-550 (1998).
18. J. Leis, G.P. Schiemenz, and M. Karelson
Stereochemistry of Arylamides. 1. NMR Spectra of Some N-(1-Naphthyl)amides
ACH Models in Chemistry, 135, 157-171 (1998).
19. J. Leis, K. D. Klika, and M. Karelson
Solvent Polarity Effects on the E/Z Conformational Equilibrium of N-1-Naphthylamides
Tetrahedron, 54, 7497-7504 (1998).
20. T. Tamm, J. Tamm, and M. Karelson
A Quantum-Mechanical Study of Oxidized Oligopyrroles
Int. J. Quant. Chem. 71, 101-109 (1999).