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Results: 26-44/44
Authors:
KATRITZKY AR
RACHWAL P
LAW KW
KARELSON M
LOBANOV VS
Citation: Ar. Katritzky et al., PREDICTION OF POLYMER GLASS-TRANSITION TEMPERATURES USING A GENERAL QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP TREATMENT, Journal of chemical information and computer sciences, 36(4), 1996, pp. 879-884
Authors:
KARELSON M
MARAN U
KATRITZKY AR
Citation: M. Karelson et al., THEORETICAL-STUDY OF THE KETO-ENOL-TAUTOMERISM IN AQUEOUS-SOLUTIONS, Tetrahedron, 52(34), 1996, pp. 11325-11328
Authors:
KATRITZKY AR
LOBANOV VS
KARELSON M
MURUGAN R
GRENDZE MP
TOOMEY JE
Citation: Ar. Katritzky et al., COMPREHENSIVE DESCRIPTORS FOR STRUCTURAL AND STATISTICAL-ANALYSIS .1.CORRELATIONS BETWEEN STRUCTURE AND PHYSICAL-PROPERTIES OF SUBSTITUTEDPYRIDINES, Revue Roumaine de Chimie, 41(11-12), 1996, pp. 851-867
Authors:
KATRITZKY AR
MU L
LOBANOV VS
KARELSON M
Citation: Ar. Katritzky et al., CORRELATION OF BOILING POINTS WITH MOLECULAR-STRUCTURE .1. A TRAININGSET OF 298 DIVERSE ORGANICS AND A TEST SET OF 9 SIMPLE INORGANICS, Journal of physical chemistry, 100(24), 1996, pp. 10400-10407
Authors:
KATRITZKY AR
KARELSON M
WELLS AP
Citation: Ar. Katritzky et al., AROMATICITY AS A QUANTITATIVE CONCEPT .6. AROMATICITY VARIATION WITH MOLECULAR ENVIRONMENT, Journal of organic chemistry, 61(5), 1996, pp. 1619-1623
Authors:
MARAN U
KARELSON M
KATRITZKY AR
Citation: U. Maran et al., A COMPARATIVE AM1 AND AB-INITIO STUDY OF THE INTRAMOLECULAR PROTON-TRANSFER IN TAUTOMERIC ORGANIC-COMPOUNDS, International journal of quantum chemistry, 60(8), 1996, pp. 41-49
Authors:
KARELSON M
LOBANOV VS
KATRITZKY AR
Citation: M. Karelson et al., QUANTUM-CHEMICAL DESCRIPTORS IN QSAR QSPR STUDIES/, Chemical reviews, 96(3), 1996, pp. 1027-1043
Authors:
KATRITZKY AR
SHIPKOVA PA
QI M
NICHOLS DA
BURTON RD
WATSON CH
EYLER JR
TAMM T
KARELSON M
ZERNER MC
Citation: Ar. Katritzky et al., STUDY OF RADICAL MEROSTABILIZATION BY ELECTROSPRAY FTICR MS/, Journal of the American Chemical Society, 118(47), 1996, pp. 11905-11911
Authors:
KARELSON M
PIHLAJA K
TAMM T
URI A
ZERNER MC
Citation: M. Karelson et al., UV-VISIBLE SPECTRA OF SOME NITROSUBSTITUTED PORPHYRINS, Journal of photochemistry and photobiology. A, Chemistry, 85(1-2), 1995, pp. 119-126
Authors:
KATRITZKY AR
LOBANOV VS
KARELSON M
Citation: Ar. Katritzky et al., QSPR - THE CORRELATION AND QUANTITATIVE PREDICTION OF CHEMICAL AND PHYSICAL-PROPERTIES FROM STRUCTURE, Chemical Society reviews, 24(4), 1995, pp. 279
Authors:
JURIMAE T
STRANDBERG M
KARELSON M
CALAIS JL
Citation: T. Jurimae et al., A SEMIEMPIRICAL STUDY OF HETEROCYCLE OLIGOMERS AND POLYMERS IN DIFFERENT DIELECTRIC MEDIA, International journal of quantum chemistry, 54(6), 1995, pp. 369-379
Authors:
KARELSON M
KATRITZKY AR
Citation: M. Karelson et Ar. Katritzky, AM1 AND MNDO SELF-CONSISTENT REACTION FIELD CALCULATIONS OF SUBSTITUENT EFFECTS IN DIFFERENT DIELECTRIC MEDIA, ACH, models in chemistry, 131(3-4), 1994, pp. 415-433
Authors:
OKSMAN P
STAJER G
PIHLAJA K
KARELSON M
Citation: P. Oksman et al., ELECTRON-IMPACT IONIZATION MASS-SPECTROMETRY AND INTRAMOLECULAR CYCLIZATION IN 2-SUBSTITUTED PYRIMIDIN-4(3H)-ONES, Journal of the American Society for Mass Spectrometry, 5(2), 1994, pp. 113-119
Authors:
MARAN U
PAKKANEN TA
KARELSON M
Citation: U. Maran et al., SEMIEMPIRICAL STUDY OF THE SOLVENT EFFECT ON THE MENSHUTKIN REACTION, Perkin transactions. 2, (12), 1994, pp. 2445-2452
Authors:
DIERCKSEN GHF
KARELSON M
TAMM T
ZERNER MC
Citation: Ghf. Diercksen et al., MULTICAVITY SCRF CALCULATION OF ION HYDRATION ENERGIES, International journal of quantum chemistry, 1994, pp. 339-348
Authors:
MURUGAN R
GRENDZE MP
TOOMEY JE
KATRITZKY AR
KARELSON M
LOBANOV V
RACHWAL P
Citation: R. Murugan et al., PREDICTING PHYSICAL-PROPERTIES FROM MOLECULAR-STRUCTURE, Chemtech, 24(6), 1994, pp. 17-23
Authors:
KARELSON M
ZERNER MC
Citation: M. Karelson et Mc. Zerner, A COMPARATIVE SEMIEMPIRICAL STUDY OF PYRROLE AND PHOSPHOLE OLIGOMERS, Chemical physics letters, 224(1-2), 1994, pp. 213-218
Authors:
KATRITZKY AR
IGNATCHENKO ES
BARCOCK RA
LOBANOV VS
KARELSON M
Citation: Ar. Katritzky et al., PREDICTION OF GAS-CHROMATOGRAPHIC RETENTION TIMES AND RESPONSE FACTORS USING A GENERAL QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP TREATMENT, Analytical chemistry, 66(11), 1994, pp. 1799-1807
Authors:
KARELSON M
TAMM T
ZERNER MC
Citation: M. Karelson et al., MULTICAVITY REACTION FIELD METHOD FOR THE SOLVENT EFFECT DESCRIPTION IN FLEXIBLE MOLECULAR-SYSTEMS, Journal of physical chemistry, 97(46), 1993, pp. 11901-11907