Publikatsioonide nimekiri (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).
Viimati muudetud: 29. oktoober 1998