Publication List (1990 - 1995).

• 52. M. Karelson, T. Tamm, A.R. Katritzky and M.C. Zerner, Reaction Field Effects on the Electronic Structure of Radical and Ionic Carbon Centers, Int. J. Quant. Chem., 37, 1-13 (1990).
• 53. M.M. Karelson, A.R. Katritzky, M. Szafran, and M.C. Zerner, A Theoretical Treatment of Solvent Effects on the Tautomeric Equilibria of Five- Membered Rings with Two Heteroatoms, J. Chem. Soc. Perkin Trans. 2, 195-201 (1990).
• 54. A.R. Katritzky and M. Karelson, Importance of Dipolar Resonance Strucures in Determining Ground State Charge Distribution, Tetrahedron Lett., 31, 2987-2990 (1990).
• 55. M. Karelson and M.C. Zerner, On the n-p * Blue Shift Accompanying Solvation, J. Am. Chem. Soc., 112, 9405-9406 (1990).
• 56. Ü. Haldna, K. Linask, H. Kuura, M. Grabenkova, A. Ebber, and M. Karelson, A Carbon-13 Nuclear Magnetic Resonance Study of the 5-Methyl-Resorcin in Sulfuric Acid Solutions, Proc. Est. Acad. Sci. Chem., 39, 213-217 (1990).
• 57. P. Burk and M. Karelson, Self-Consistent Reaction Field of an Ionic Atmosphere, Proc. Est. Acad. Sci. Chem., 40, 118-121 (1991).
• 58. T. Tamm and M. Karelson, Electronic and Solvent Effects in Disubstituted Benzenes: A Quantum-Chemical Investigation, Proc. Est. Acad. Sci. Chem., 40, 122-128 (1991).
• 59. P. Burk and M. Karelson, Critical Test of the Validity of ZDO Semiempirical Methods for Hydrogen-Bonded Systems Proc. Est. Acad. Sci. Chem., 40, 104-117 (1991).
• 60. Ü. Haldna, M. Grebenkova, M. Karelson, and A. Ebber, Basicity of 5-Methylresorcinol Studied by Carbon-13 NMR and UV-Absorption Spectroscopy, Proc. Est. Acad. Sci. Chem., 40, 133-137 (1991).
• 61. M. Karelson, A.R. Katritzky and M.C. Zerner, AM1, PM3 and MNDO Calculations of Radical Formation Energies in the Gas Phase and in Solution, J. Org. Chem., 56, 161-166 (1991).
• 62. A.R. Katritzky, M. Karelson and N. Malhotra, Heterocyclic Aromaticity, Heterocycles, 32, 127-161 (1991).
• 63. A.R. Katritzky, M. Karelson and P.A. Harris, Prototropic Tautomerism of Heteroaromatic Compounds, Heterocycles, 32, 329-369 (1991).
• 64. A.R. Katritzky, M. Karelson and G. Hitchings, Cycloaddition Reactions of Six-Membered Heteroaromatic Betaines, Reviews in Heteroatomic Chemistry, 5, 43-105, (1991).
• 65. 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).
• 66. H. Rzepa, M.Y. Yi, M.M. Karelson, and M.C. Zerner, Geometry Optimisation at the Semiempirical Self-consistent-reaction-field Level Using the AMPAC and MOPAC Programs, J. Chem. Soc. Perkin Trans. 2, 635-637 (1991).
• 67. M.G. Vaartnou and M.M. Karelson, Application of the Quantum-Chemical Reactivity Indexes in the Analysis of Regularities of Anion Adsorption on Bismuth Electrode in Protic Solvents, Rus. J. Electrochem., 27, 1366-1369 (1991).
• 68. M.M. Karelson and M.C. Zerner, A Theoretical Treatment of Solvent Effects on Spectroscopy, J. Phys. Chem., 96, 6949-6957 (1992).
• 69. 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).
• 70. T. Sepp and M. Karelson, Primary Salt Effect on Acid-Base Equilibria in Aqueous Strong Acid Solutions, Org. React., 31, 35-42 (1993).
• 71. A.R. Katritzky, K. Yannakopoulou, P. Barczynski, M. Szafran, and M.M. Karelson, The Ionization and Conductivity of N-(Aminoalkyl)benzotriazoles in Nitromethane, Org. React., 31, 101-104 (1993).
• 72. 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).
• 73. 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).
• 74. 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).
• 75. A.R. Katritzky, E.S. Ignatchenko, R.A. Barcock, V.S. Lobanov, and M. Karelson, Prediction of Gas Chromatographic Retention Times and Response Factors using a General QSPR Treatment, Anal. Chem. 11, 1799-1807 (1994).
• 76. 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).
• 77. M.Strandberg, G.P. Schiemenz, and M.M. Karelson, Theoretical Study of the Tautomerism of Substituted Azaphospholes, Proc. Acad. Sci. Est. Chem. 43, 41-50 (1994)
• 78. A. Tuulmets and M. Karelson, Can the Inhibition of Grignard Reaction Consist the Capture of Free Radicals? The AM1 Calculation of Fukui's Reactivity Indices for Potential Radical Scavengers, Proc. Acad. Sci. Est. Chem. 43, 51-54 (1994)
• 79. 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).
• 80. 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).
• 81. M. Karelson and M.C. Zerner, A Comparative Semiempirical Study of Pyrrole and Phosphole Oligomers, Chem. Phys. Lett., 224, 213-218 (1994).
• 82. 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, 415-433 (1994).
• 83. G.H.F. Diercksen, M. Karelson, T.Tamm and M.C. Zerner Multicavity SCRF Calculation of the Ionic Hydration, Int. J. Quant. Chem., S28, 339-348 (1994).
• 84. U. Maran, T.A. Pakkanen and M. Karelson, Semiempirical Study of the Solvent Effect on the Menshutkin Reaction, J. Chem. Soc. Perkin Trans. 2 , 2445 (1994)
• 85. 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).
• 86. 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).
• 87. 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).