The anharmonicity factors of B2H6 and B2D6 have been calculated using Dennison's method. Using the calculated harmonic wave numbers, the valence force constants have been obtained by the Wilson's F-G matrix method
$^{1}$ I. Gamo, J. Mol. Spectry 30, 216 (1969).Author Institution: Department of Chemistry, Universi...
International audienceA computational approach is presented to compute anharmonic vibrational states...
DFT (density functional theory) anharmonic force fields with basis sets near the Kohn-Sham limit hav...
Author Institution: University of TexasFirst, a short review of the ab initio harmonic force field c...
The relationship of the anharmonic force constants in curvilinear internal coordinates to the observ...
Author Institution:An algorithm has been developed for the treatment of linear force constants in th...
Theoretical anharmonic force fields are reported for 16 symmetric tops MH3X (M=C, Si, Ge, Sn; X=F, C...
$^{*}$On leave from Institute of Chemistry, Czechos lovak Academy of Science, Prague, Czechoslovakia...
The author proposes a numerical approach to estimate the harmonic and anharmonic force constant matr...
$^{1}$J. W. Russell, C. D. Needham and J. Overend, J. chem. Phys. 45, 3383 (1966).Author Institution...
The cubic and quartic force fields of the title compounds are determined from ab initio SCF calculat...
Anharmonic and related constants have been calculated for CH2Cl2, CD2Cl2, and CHDCl2 by using the pr...
Normal coordinate analysis for XY<SUB>4</SUB> type molecules of T<SUB>α</SUB> symmetry has been carr...
The research work of Marco Mendolicchio involves the inclusion of anharmonicity effects in the calcu...
The anharmonic force field of BeH2 has been calculated near the basis set and n-particle space limit...
$^{1}$ I. Gamo, J. Mol. Spectry 30, 216 (1969).Author Institution: Department of Chemistry, Universi...
International audienceA computational approach is presented to compute anharmonic vibrational states...
DFT (density functional theory) anharmonic force fields with basis sets near the Kohn-Sham limit hav...
Author Institution: University of TexasFirst, a short review of the ab initio harmonic force field c...
The relationship of the anharmonic force constants in curvilinear internal coordinates to the observ...
Author Institution:An algorithm has been developed for the treatment of linear force constants in th...
Theoretical anharmonic force fields are reported for 16 symmetric tops MH3X (M=C, Si, Ge, Sn; X=F, C...
$^{*}$On leave from Institute of Chemistry, Czechos lovak Academy of Science, Prague, Czechoslovakia...
The author proposes a numerical approach to estimate the harmonic and anharmonic force constant matr...
$^{1}$J. W. Russell, C. D. Needham and J. Overend, J. chem. Phys. 45, 3383 (1966).Author Institution...
The cubic and quartic force fields of the title compounds are determined from ab initio SCF calculat...
Anharmonic and related constants have been calculated for CH2Cl2, CD2Cl2, and CHDCl2 by using the pr...
Normal coordinate analysis for XY<SUB>4</SUB> type molecules of T<SUB>α</SUB> symmetry has been carr...
The research work of Marco Mendolicchio involves the inclusion of anharmonicity effects in the calcu...
The anharmonic force field of BeH2 has been calculated near the basis set and n-particle space limit...
$^{1}$ I. Gamo, J. Mol. Spectry 30, 216 (1969).Author Institution: Department of Chemistry, Universi...
International audienceA computational approach is presented to compute anharmonic vibrational states...
DFT (density functional theory) anharmonic force fields with basis sets near the Kohn-Sham limit hav...
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