About the conference on the Theory of the Structure and Spectra of Complex Systems L. A. Gribov Announcement Pages: 1 - 1
Nonempirical quantum chemical calculation for nitramide, its chloro- and methyl-substituted derivatives. I. Structure of equilibrium forms L. S. KhaikinO. E. GrikinaJ. E. Boggs OriginalPaper Pages: 2 - 8
Nonempirical quantum chemical calculation for nitramide, its chloro- and methyl-substituted derivatives. II. Structures and energies of transition states for internal rotation and inversion of the amino group L. S. KhaikinO. E. GrikinaJ. E. Boggs OriginalPaper Pages: 9 - 16
S1←S0 vibronic spectra and the vapor-state molecular structure of propanal and 2-methylpropanal I. A. GodunovV. N. AlekseevM. Badavi OriginalPaper Pages: 17 - 21
Vibronic spectra and S1 excited electronic state molecular structures for acetyl chloride and acetyl fluoride N. N. YakovlevI. A. Godunov OriginalPaper Pages: 22 - 26
Fragmentwise electronic-state calculation for large molecular systems B. K. NovosadovO. Yu. Nikitin OriginalPaper Pages: 27 - 32
Potential barriers of internal rotation in halogen-substituted ethanes Yu. I. PonomarevM. R. RasovskiiB. Yu. Paramonov OriginalPaper Pages: 33 - 36
Method for the construction of basis spectra of multicomponent systems. The zero correlation coefficient criterion I. V. MarkichevI. NatkanetsE. F. Sheka OriginalPaper Pages: 37 - 45
Construction of vibrational basis spectra of multicomponent systems 1. Aerosil I. V. MarkichevI. natkanetsE. F. Sheka OriginalPaper Pages: 46 - 55
Construction of vibrational basis spectra of multicomponent systems 2. Silica gel I. V. MarkichevI. NatkanetsE. F. Sheka OriginalPaper Pages: 56 - 67
Consideration of vibrational anharmonicity by scaled corrections to the force constants G. G. D'yachenko OriginalPaper Pages: 68 - 73
Model harmonic force fields of inorganic molecules and calculations of thermodynamic values of chemical compounds E. N. YurchenkoG. E. Osipova OriginalPaper Pages: 74 - 82
Classification of IR spectra of organic compounds by the methods of multidimensional statistics S. D. TimchenkoV. A. Dement'ev OriginalPaper Pages: 83 - 88
Calculation of two-photon absorption spectra of monosubstituted benzenes with accounting for the Herzberg-Teller effect T. G. Burova OriginalPaper Pages: 89 - 91
IR absorption spectra and structure of 4-cyano-4′,-p-alkoxybiphenyls L. M. BabkovN. I. DavydovaI. N. Khakimov OriginalPaper Pages: 92 - 97
Vibrational spectra of cyclopropenes. I. IR spectra of 3,3-disubstituted cyclopropenes I. A. BoyarskayaS. Kh. Akopyan OriginalPaper Pages: 98 - 109
Vibrational spectra of cyclopropenes. II. IR spectra of 1,2-disubstituted cyclopropenes I. A. BoyarskayaS. Kh. Akopyan OriginalPaper Pages: 110 - 116
Calculation of the vibrational spectrum of crystalline zinc oxide and modelling interstitial zinc impurities A. Yu. Gladilin OriginalPaper Pages: 117 - 123
Variational method for the calculation of the vibrational structure of the electronic spectra of polyatomic molecules. I V. I. BaranovL. A. GribovD. Yu. Zelentsov OriginalPaper Pages: 124 - 129
Variational method for the calculation of the vibrational structure of the electronic spectra of polyatomic molecules. II V. I. BaranovL. A. GribovD. Yu. Zelenstov OriginalPaper Pages: 130 - 136
Theoretical analysis of infrared spectrum of 9,10-anthraquinone molecule L. A. GribovO. B. ZubkovaA. A. Sigarev OriginalPaper Pages: 147 - 154
Investigation of basic relationships in spectral manifestations of vibrations of indanthrone molecule L. A. GribovO. B. ZubkovaV. A. Bykov OriginalPaper Pages: 155 - 163
Study of infrared spectrum of 3,3′-dichloroindanthrone L. A. GribovO. B. ZubkovaV. A. Bykov OriginalPaper Pages: 164 - 170
Composition and experience in operation of library of molecular structures as software for large-scale calculations of infrared spectra of organic compounds O. V. NovoselovaL. A. Gribov OriginalPaper Pages: 171 - 175
