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Results: 1-15 |
Results: 15
REGULARIZING ALGORITHM FOR DETERMINATION OF EQUILIBRIUM GEOMETRY AND HARMONIC FORCE-FIELD OF FREE MOLECULES FROM JOINT USE OF ELECTRON-DIFFRACTION, VIBRATIONAL SPECTROSCOPY AND AB-INITIO DATA WITH APPLICATION TO BENZENE
Authors: KOCHIKOV IV TARASOV YI KURAMSHINA GM SPIRIDONOV VP YAGOLA AG STRAND TG
Citation: Iv. Kochikov et al., REGULARIZING ALGORITHM FOR DETERMINATION OF EQUILIBRIUM GEOMETRY AND HARMONIC FORCE-FIELD OF FREE MOLECULES FROM JOINT USE OF ELECTRON-DIFFRACTION, VIBRATIONAL SPECTROSCOPY AND AB-INITIO DATA WITH APPLICATION TO BENZENE, Journal of molecular structure, 445(1-3), 1998, pp. 243-258
AB-INITIO AND REGULARIZED FORCE-FIELDS OF HALOETHANES - CH3CH2CL, CH3CHCL2, CH3CF2CL, AND CH3CFCL2
Authors: KURAMSHINA GM WEINHOLD F PENTIN YA
Citation: Gm. Kuramshina et al., AB-INITIO AND REGULARIZED FORCE-FIELDS OF HALOETHANES - CH3CH2CL, CH3CHCL2, CH3CF2CL, AND CH3CFCL2, The Journal of chemical physics, 109(17), 1998, pp. 7286-7299
VIBRATIONAL-SPECTRA AND ROTATIONAL-ISOMER ISM OF 1,1-DIFLUORO-1,2,2-TRICHLOROETHANE
Authors: SENYAVIN VM YANINA SV KURAMSHINA GM PENTIN YA
Citation: Vm. Senyavin et al., VIBRATIONAL-SPECTRA AND ROTATIONAL-ISOMER ISM OF 1,1-DIFLUORO-1,2,2-TRICHLOROETHANE, Zurnal fiziceskoj himii, 71(4), 1997, pp. 662-666
A-PRIORI CONSTRAINTS IN THE FORCE-FIELD CALCULATIONS OF POLYATOMIC-MOLECULES
Authors: KURAMSHINA GM YAGOLA AG
Citation: Gm. Kuramshina et Ag. Yagola, A-PRIORI CONSTRAINTS IN THE FORCE-FIELD CALCULATIONS OF POLYATOMIC-MOLECULES, Journal of structural chemistry, 38(2), 1997, pp. 181-194
CALCULATED VIBRATIONAL-SPECTRA OF GLYOXAL AND OXALYL HALIDES IN THE GROUND AND FIRST EXCITED SINGLET ELECTRONIC STATES
Authors: TYULIN VI KURAMSHINA GM PENTIN YA HO LH
Citation: Vi. Tyulin et al., CALCULATED VIBRATIONAL-SPECTRA OF GLYOXAL AND OXALYL HALIDES IN THE GROUND AND FIRST EXCITED SINGLET ELECTRONIC STATES, Journal of structural chemistry, 38(2), 1997, pp. 231-235
CONSTRAINTS ON THE VALUES OF FORCE-CONSTANTS FOR MOLECULAR-FORCE FIELD MODELS BASED ON AB-INITIO CALCULATIONS
Authors: KURAMSHINA GM WEINHOLD F
Citation: Gm. Kuramshina et F. Weinhold, CONSTRAINTS ON THE VALUES OF FORCE-CONSTANTS FOR MOLECULAR-FORCE FIELD MODELS BASED ON AB-INITIO CALCULATIONS, Journal of molecular structure, 410, 1997, pp. 457-461
VIBRATIONAL-SPECTRA, STRUCTURE, AND FORCE-FIELDS OF PERFLUORINATED CYCLOALKANE AND BICYCLOALKANE
Authors: SENYAVIN VM KOCHIKOV IV KURAMSHINA GM
Citation: Vm. Senyavin et al., VIBRATIONAL-SPECTRA, STRUCTURE, AND FORCE-FIELDS OF PERFLUORINATED CYCLOALKANE AND BICYCLOALKANE, Journal of molecular structure, 410, 1997, pp. 463-466
PENTIN,YURII,ANDREEVICH (ON THE OCCASION OF HIS 70TH BIRTHDAY)
Authors: LUNIN VV KURAMSHINA GM VILKOV LV
Citation: Vv. Lunin et al., PENTIN,YURII,ANDREEVICH (ON THE OCCASION OF HIS 70TH BIRTHDAY), Vestnik Moskovskogo universiteta. Seria 2. Himia, 37(2), 1996, pp. 195-197
PENTIN,YURII,ANDREEVICH (TO THE 70TH ANNI VERSARY)
Authors: LUNIN VV KURAMSHINA GM VILKOV LV
Citation: Vv. Lunin et al., PENTIN,YURII,ANDREEVICH (TO THE 70TH ANNI VERSARY), Zurnal fiziceskoj himii, 70(4), 1996, pp. 768-768
MOLECULAR-FORCE FIELDS OBTAINED USING THE NONEMPIRICAL STABILIZER OF THE REGULARIZING FUNCTIONAL
Authors: PENTIN YA KURAMSHINA GM
Citation: Ya. Pentin et Gm. Kuramshina, MOLECULAR-FORCE FIELDS OBTAINED USING THE NONEMPIRICAL STABILIZER OF THE REGULARIZING FUNCTIONAL, Journal of structural chemistry, 36(2), 1995, pp. 180-190
SEARCHING NORMAL SOLUTION OF INVERSE VIBRATIONAL PROBLEM BY THE METHOD OF MONTE-CARLO
Authors: KURAMSHINA GM LOBANOV AV YAGOLA AG
Citation: Gm. Kuramshina et al., SEARCHING NORMAL SOLUTION OF INVERSE VIBRATIONAL PROBLEM BY THE METHOD OF MONTE-CARLO, Journal of molecular structure, 348, 1995, pp. 147-150
REGULARIZED FORCE MOLECULE FIELDS BASED O N NONEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS
Authors: KURAMSHINA GM VEINKHOLD F KOCHIKOV IV PENTIN YA YAGOLA AG
Citation: Gm. Kuramshina et al., REGULARIZED FORCE MOLECULE FIELDS BASED O N NONEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS, Zurnal fiziceskoj himii, 68(3), 1994, pp. 401-414
REGULATED FORCE-FIELDS OF TRANS-CONFORMER S AND GAUCHE-CONFORMERS OF 1,2-DICHLOROETHANE WITH NONEMPIRIC FUNCTIONAL STABILIZER
Authors: KURAMSHINA GM VEINKHOLD F PENTIN YA
Citation: Gm. Kuramshina et al., REGULATED FORCE-FIELDS OF TRANS-CONFORMER S AND GAUCHE-CONFORMERS OF 1,2-DICHLOROETHANE WITH NONEMPIRIC FUNCTIONAL STABILIZER, Zurnal fiziceskoj himii, 68(11), 1994, pp. 2015-2023
JOINT TREATMENT OF AB-INITIO AND EXPERIMENTAL-DATA IN MOLECULAR-FORCEFIELD CALCULATIONS WITH TIKHONOVS METHOD OF REGULARIZATION
Authors: KURAMSHINA GM WEINHOLD F KOCHIKOV IV YAGOLA AG PENTIN YA
Citation: Gm. Kuramshina et al., JOINT TREATMENT OF AB-INITIO AND EXPERIMENTAL-DATA IN MOLECULAR-FORCEFIELD CALCULATIONS WITH TIKHONOVS METHOD OF REGULARIZATION, The Journal of chemical physics, 100(2), 1994, pp. 1414-1424
VIBRATIONAL-SPECTRA, POTENTIAL FUNCTION O F INTERNAL-ROTATION AND FORCE-FIELDS OF 1,2-DICHLOROHEXAFLUOROPROPANE CONFORMERS
Authors: SENYAVIN VM OSIN SB KURAMSHINA GM PENTIN YA
Citation: Vm. Senyavin et al., VIBRATIONAL-SPECTRA, POTENTIAL FUNCTION O F INTERNAL-ROTATION AND FORCE-FIELDS OF 1,2-DICHLOROHEXAFLUOROPROPANE CONFORMERS, Zurnal fiziceskoj himii, 67(4), 1993, pp. 707-713
Risultati: 1-15 |