1. NIMI Mati Karelson
2. SÜNNIAEG JA KOHT 27. detsember 1948. a., Tartu linn
3. KODAKONDSUS Eesti Vabariik
4. PEREKONNASEIS abielus
5. AADRESS Tartu, Jakobi 2
6. PRAEGUNE TÖÖKOHT Tartu Ülikool, korraline professor
7. HARIDUS Tartu Riiklik Ülikool, keemia (1972)
Tartu Riiklik Ülikool, keemiakandiaat (PhD) (1975)
8. KEELTEOSKUS inglise, vene, saksa
9. TEENISTUSKÄIK:
1972-1975 nooremteadur, vanemteadur, TRÜ orgaanilise keemia kateeder
1975-1985 vanemteadur, TRÜ keemilise kineetika ja katalüüsi labor
1985-1988 sektorijuhataja, TRÜ keemilise kineetika ja katalüüsi labor
1988-1992 juhataja, Tartu Ülikooli keemilise kineetika ja katalüüsi labor
1992 - k.a. Tartu Ülikooli teoreetilise keemia korraline professor

II Teaduslik tegevus.

1. PEAMISED UURIMISVALDKONNAD.

1. Happe-aluselised tasakaalud.
2. Elektrolüütide lahuste füüsikaline keemia.
3. Kondenseeritud keskkondade kvantteooria.
4. Keemiliste ühendite reaktsioonivõime teooria.
5. Kvantitatiivsed struktuur-aktiivsus/omadus sõltuvused.
6. Keemiliste ühendite tehnoloogiliste omaduste ja protsesside modelleerimine.
7. Heterotsükliliste ühendite keemia.
8. Keemia tarkvara.
9. Kvantkeemia ja kvantbioloogia.

2. TEADUSLIKE PUBLIKATSIOONIDE ÜLDARV JA VIIMASE 5. A. PUBLIKATSIOONID

127 teaduslikku artiklit, ülevaadet, monograafiat või monograafia osa.

Viimase 5 aasta publikatsioonid:

(a) Current Contents refereeritud publikatsioonid:
1. H. Kuura and M. Karelson,
Differential-Conductometric Study of the Urea Addition Effects on the Structure of Aqueous and Non-Aqueous Electrolyte Solutions,
Org. React., 31, 29-34 (1993).
2. T. Sepp and M. Karelson,
Primary Salt Effect on Acid-Base Equilibria in Aqueous Strong Acid Solutions,
Org. React., 31, 35-42 (1993).
3. A.R. Katritzky, K. Yannakopoulou, P. Barczynski, M. Szafran, M.M. Karelson,
Ionization and Conductivity of N-(Aminoalkyl)benzotriazoles in Nitromethane,
Org. React., 31, 101-104 (1993).
4. M. Karelson, T. Tamm, and M.C. Zerner,
Multicavity Reaction Field Method for the Solvent Effect Description in Flexible Molecular Systems,
J. Phys. Chem., 97, 11901-11907 (1993).
5. M. Szafran, M.M. Karelson, A.R. Katritzky, J. Koput, and M.C. Zerner,
Reconsideration of Solvent Effects Calculated by Semiempirical Quantum Chemical Methods
J. Comput. Chem., 14, 371-377 (1993).
6. 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).
7. A.R. Katritzky, E.S. Ignatchenko, R.A. Barcock, V.S. Lobanov, and M. Karelson
Prediction of Gas Chromatographic Retention Times and Response Factors usinga General QSPR Treatment,
Anal. Chem. 11, 1799-1807 (1994).
8. 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).
9. M. Karelson and M.C. Zerner,
A Comparative Semiempirical Study of Pyrrole and Phosphole Oligomers,
Chem. Phys. Lett., 224, 213-218 (1994).
10. M. Karelson and A.R. Katritzky,
AM1 and MNDO Self-Consistent Reaction Field Calculations of Substituent Effects in Different Dielectric Media,
ACH Models in Chemistry, 131, (3-4) 415-433 (1994).
11. G.H.F. Diercksen, M. Karelson, T.Tamm and M.C. Zerner
Multicavity SCRF Calculation of the Ionic Hydration,
Int. J. Quant. Chem., 28S, 339-3(1994).
12. U. Maran, T.A. Pakkanen and M. Karelson,
A Semiempirical Study of the Solvent Effect on the Menshutkin Reaction,
J. Chem. Soc. Perkin Trans. 2, 741-748 (1994).
13. M. Karelson, K Pihlaja, T.Tamm, A. Uri, and M.C. Zerner
UV-visible spectra of some nitro-substituted porphyrins
J. Photochem. and Photobiol. A: Chemistry, 85, 119-126 (1995).
14. 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).
15. A.R. Katritzky, V. Lobanov, and M. Karelson,
QSPR: The Correlation and Quantitative Prediction of Chemical and Physical Properties from Structure,
Chem. Soc. Revs., 24, 279-287 (1995).
16. A.R. Katritzky, M. Karelson and A.P. Wells
Aromaticity as a Quantitative Concept. 6. Aromaticity Variation with Molecular Environment
J. Org. Chem., 61, 1619-1623 (1996).
17. M. Karelson, V.S. Lobanov, and A.R. Katritzky
Quantum-Chemical Descriptors in QSAR/QSPR Studies
Chem. Rev., 96, 1027-1043 (1996).
18. M. Karelson, U. Maran, and A.R. Katritzky
Theoretical Study of the Keto-Enol Tautomerism in Aqueous Solutions
Tetrahedron, 52, 11325-11328 (1996).
19. A.R. Katritzky, P. Rachwal, K.W. Law, M. Karelson, and V.S. Lobanov
Prediction of Polymer Glass Transition Temperatures Using a General
Quantitative Structure-Property Relationship Treatment
J. Chem. Inf. Comput. Sci., 36, 879-884 (1996).
20. P. Huibers, V.S. Lobanov, D.O. Shah, and M. Karelson
Prediction of Critical Micelle Concentration Using a General Quantitative
Structure-Property Relationship Approach. I. Nonionic Surfactants.
Langmuir, 12, 1462-1470 (1996).
21. A.R. Katritzky, Lan Mu, V.S. Lobanov and M. Karelson
Correlation of Boiling Points with Molecular Structure. I A Training Set of 298
Diverse Organics and a Test Set of 9 Simple Inorganics,
J. Phys. Chem., 100, 10400-10407 (1996).
22. J. Leis, K. Pihlaja, and M. Karelson
Synthesis of 1-Phenyl-2,4-Dimethylphosphole, the Dimer of 1-Phenyl-3,4-Dimethylphosphole-1-Oxide and 1-Phenyl-3,4-Dimethyl-2,5-Dihydrophosphole-1-Oxide
Zh. Org. Khim., 32, 446-448 (1996).
23. A.R. Katritzky, V.S. Lobanov, M. Karelson, R. Murugan, M.P. Grendze, and J.E. Toomey, Jr.
Comprehensive Descriptors for Structural and Statistical Analysis, 1. Correlations Between Structure and Physical Properties of Pyridines,
Rev. Roum. Chim., 41, 851-867 (1996)
24. U. Maran, M. Karelson, and A.R. Katritzky
A Comparative AM1 and Ab Initio Study of the Intramolecular Proton Transfer in Tautomeric Organic Compounds,
Int. J. Quant. Chem. Quant. Biol. Symp., 23, 41-49 (1996).
25. A.R. Katritzky, P.A. Shipkova, M. Qi, D. Nichols, R.D. Burton, C.H. Watson, J.R. Eyler, T.Tamm, M.C. Zerner and M.Karelson
Study of Radical Merostabilization by Electrospray FTICR/MS
J. Am. Chem. Soc. 118, 11905-11911 (1996).
26. A.R. Katritzky, L. Mu, M. Karelson
A QSPR Study of the Solubility of Gases and Vapors in Water
J. Chem. Inf. Comput. Sci., 36, 1162-1168 (1996).
27. M. Karelson
Quantum Chemical Treatment of Molecules in Condensed Disordered Media,
Adv. Quant. Chem., 28 , 142-159 (1997).
28. P. Huibers, A.R. Katritzky, V.S. Lobanov, D.O. Shah, and M. Karelson
Prediction of Critical Micelle Concentration Using a General Quantitative Structure-Property Relationship Approach. I. Anionic Surfactants.
Colloid Interf. Sci., 187, 113-120 (1997).
29. A.R. Katritzky, M. Karelson and V.S. Lobanov
QSPR as a means of predicting and understanding chemical and physical properties in terms of Structure
Pure & Appl. Chem., 69 , 246-248 (1997).
30. U. Maran, T.A. Pakkanen, and M. Karelson
An ab initio Study of the Menshutkin Reaction
Mol. Struct. (THEOCHEM), 397 , 263-272 (1997).
31. A.R. Katritzky, Lan Mu, and M. Karelson
QSPR Treatment of Unified Solvent Polarity Scale
J. Chem. Inf. Comput. Sci., 37 , 756-762 (1997).
32. M.Karelson and J. Karwowski (Eds.)
Recent Advances in Computational Quantum Chemistry,
Academic Press, New York, 1997.
33. M.Karelson and G.H.F. Diercksen
Models for Simulating Molecular Properties in Condensed Systems, in: "Problem Solving in Computational Molecular Science: Molecules in Different Environments", S. Wilson and G.H.F. Diercksen (Eds.), Kluwer Academic Publ., Dordrecht, 1997, 215-248.
34. 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.
35. A.R. Katritzky, U. Maran, M. Karelson, V.S. Lobanov
Prediction of Melting Points for the Substituted Benzenes
J. Chem. Inf. Comput. Sci., 37 , 913-919 (1997).
36. A.R. Katritzky, V.S. Lobanov, and M. Karelson
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship
J. Chem. Inf. Comput. Sci., 38, 28-41 (1998).
37. 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).
38. A.R. Katritzky, Lan Mu, and M. Karelson
Relationships of Critical Temperatures to Calculated Molecular Properties
J. Chem. Inf. Comput. Sci., 38, 293-299 (1998).
39. A.R. Katritzky, S. Sild, V. Lobanov, and M. Karelson
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
J. Chem. Inf. Comput. Sci., 38, 300-304 (1998).
40. A.R. Katritzky, R.D. Burton, Ming Qi, P.A. Shipkova, C.H. Watson, Z. Dega-Szafran, J.R. Eyler, M. Karelson, U. Maran, and M.C. Zerner
Fourier transform ion cyclotron resonance mass spectrometry and theoretical studies of gas phase SN2 nucleophilic substitution reactions at sp3-carbon atoms
J. Chem. Soc. Perkin Trans. 2, 825-834 (1998).
41. 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).
42. 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).
43. 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).
44. J. Leis, U. Maran, G.P. Schiemenz, and M. Karelson
Stereochemistry of Arylamides. 2. AM1 SCF and SCRF Quantum-Chemical Modelling of Some N-(1-Naphthyl)amides
ACH Models in Chemistry, 135, 173-181 (1998).
45. 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-HT1_A Receptor Antagonists
Bioorg. & Med. Chem., 6, 535-550 (1998).
46. A.R. Katritzky, P.A. Shipkova, M. Qi, R.D. Burton, C.H. Watson, J.R. Eyler, and M. Karelson
Cation tagging for monitoring gas phase reactions. Electrospray FTICR/MS study of ester pyrolysis
Int. J. Mass Spectr. Ion Proc., 175, 149-157 (1998)
47. T. Tamm, J. Tamm, and M. Karelson
A Quantum-Mechanical Study of Oxidized Oligopyrroles
Int. J. Quant. Chem. 00, 000-000 (1998).
48. A.R. Katritzky, S. Sild, and M. Karelson
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds
J. Chem. Inf. Comput. Sci., 38, 840-844 (1998).
49. A.R. Katritzky, M. Karelson, S. Sild, T.M. Krygowski, and K. Jug
Aromaticity as a Quantitative Concept - Part VII: Aromaticity Reaffirmed as a Multi-Dimensional Characteristic
J. Org. Chem, 63, 5228-5231 (1998).
50. A.R. Katritzky, Y. Wang, S. Sild, T. Tamm and M. Karelson
QSPR Studies on Vapor Pressure and the Prediction of Water-Air Partition Coefficients
J. Chem. Inf. Comput. Sci., 38, 720-725 (1998).
51. A.R. Katritzky, S. Sild, and M. Karelson
Correlation and Prediction of the Refractive Indices of Polymers by QSPR
J. Chem. Inf. Comput. Sci., 38, 1171-1176 (1998).
52. M. Karelson and A. Perkson
QSPR Prediction of Densities of Organic Liquids
Computers & Chemistry, 00, 1-11 (1998)
53. T. Tamm, J. Tamm, and M. Karelson
A Quantum-Mechanical Study of Oxidized Oligopyrroles
Int. J. Quant. Chem. 71, 101-109 (1999).
 

(b) Muud publikatsioonid

1. M.Strandberg, G.P. Schiemenz, and M. Karelson,
Theoretical Study of the Tautomerism of Substituted Azaphospholes,
Proc. Acad. Sci. Est. Chem. 43, 41-50 (1994).
2. A. Tuulmets and M. Karelson,
Can the Inhibition of Grignard Reaction Consist the Capture of Free Radicals? The AM1Calculation of Fukui's Reactivity Indices for Potential Radical Scavengers,
Proc. Acad. Sci. Est. Chem. 43, 51-54 (1994).
3. I. Kahn, U. Maran, and M. Karelson,
Quantum-Chemical Modelling of the Solvatochromic Shifts in Electronic Spectra,
Acta Univ. Tartuensis, Publ. in Chemistry, XXII (975), 15-28 (1994).
4. T. Jürimäe, M. Strandberg, and M. Karelson,
A Theoretical Study of Five-membered Heterocycle and Metallocycle Oligomers,
Acta Univ. Tartuensis, Publ. in Chemistry, XXII (975), 15-28 (1994).
5. M. Karelson and G,H.F. Diercksen
Models for Simulating Molecular Properties in Condensed Systems
Lecture Notes of NATO Advanced Study Institute, Bad Windsheim, Germany, 1996, pp. 195-235.
6. M. Karelson
Molecular Properties and Spectra in Solution
Lecture Notes of NATO Advanced Study Institute, Bad Windsheim, Germany, 1996, pp. 153-192.

3. MUU TEADUSLIK ORGANISATSIOONILINE JA ERIALANE TEGEVUS

Toimetuskollegiumi liige:
International Journal of Quantum Chemistry, Organic Reactivity, Eesti TA Toimetised
Liige, International Society of Quantum Biology and Pharmacology (1990)
Tegevliige, The New York Academy of Sciences (1994)
Erakorraline professor (Courtesy Professor of Chemistry), Florida Ülikool, USA (1994)
Euroopa Teadus- ja Tehnikaalase Koostöö (European Co-operation in the Field of Scientific and Technical Research) Senior Officials Committee liige, Eesti rahvuslik koordinaator
S/a Tartu Teaduspark, nõukogu esimees
Tartu Ülikooli keemiaosakonna nõukogu liige
Rahvusvaheline retsensent, füüsikalise keemia professori ametikoht (Jyväskylä Ülikool, Soome)
Rahvusvaheline retsensent, orgaanilise keemia professori ametikoht (Joensuu Ülikool, Soome)
Euroopa Teaduse ja Tehnikaalase Koostöö programmi D3 "Theory and Modelling of Chemical Systems and Processes" juhtimiskomitee (Management Committee) liige (1994).
Doktoriväitekirjade kaitsmise nõukogu (teoreetilise keemia alal) välisliige, Uppsala Ülikool (1996).
Retsensent, Journal of the American Chemical Society, The Journal of Physical Chemistry, International Journal of Quantum Chemistry, Journal of Chemical Information and Computer Science, Computer Physics Communications j.t.
Nominaator, 1997.a. Nobeli keemiapreemia

Viimase 5 aasta jooksul on juhendanud 8 doktorandi (neist 1 Florida Ülikoolis) ja 6 magistrandi tööd. Tähtajaliselt on kaitsnud:
(a) doktorikraadi
(1) Toomas Tamm, keemiadoktor, Tartu Ülikool (1993).
(2) Victor Lobanov, filosoofiadoktor teoreetilise ja arvutikeemia alal, Tartu Ülikool (1995).
(3) Mu Lan, filosoofiadoktor keemia alal, Florida Ülikool (1996).
(4) Uko Maran, filosoofiadoktor teoreetilise ja arvutikeemia alal, Tartu Ülikool (1997).
(5) Jaan Leis, filosoofiadoktor keemia alal, Tartu Ülikool (1998).
(b) magistrikraadi
(1) Uko Maran, keemiamagister (1993).
(2) Jaan Leis, keemiamagister (1994).
(3) Kalju Kahn, keemiamagister (1994).
(4) Tiit Jürimäe, keemiamagister (1995).
(5) Sulev Sild, keemiamagister (1998).
(6) Tarmo Tamm, keemiamagister (1998).

Biograafia: 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