The cubic and quartic force fields of AsH<sub>3</sub>, SbH<sub>3</sub>, and BiH<sub>3</sub> are determined from ab initio calculations using effective core potentials and polarized double-zeta valence basis sets. The computed geometries, dipole moments, rotational constants, vibration-rotation interaction constants, l-doubling constants, anharmonicity constants, vibrational wavenumbers, centrifugal distortion constants, and Coriolis coupling constants are compared with the available experimental data for AsH3 and SbH3. The vibrational wavenumbers and other spectroscopic constants for the BiH3 molecule are predicted
Author Institution: North American Aviation Science CenterUsing the Green's function, we have genera...
High-level ab initio calculations with relatively large basis sets are reported for bromofluorometha...
The performances of the B3LYP density functional in the computation of harmonic and anharmonic frequ...
The cubic and quartic force fields of AsH3, SbH3, and BiH3 are determined from ab initio calculation...
Structural and vibrational-spectroscopic data of BiH3 have recently been reported for the first time...
The cubic and quartic force fields of the title compounds are determined from ab initio SCF calculat...
Theoretical anharmonic force fields are reported for 16 symmetric tops MH3X (M=C, Si, Ge, Sn; X=F, C...
Ab initio self-consistent-field calculations using effective core potentials and polarized double-ze...
Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibra...
The complete cubic and quartic force fields of H3SiF and H3SiCl are predicted from ab initio SCF cal...
Theoretical harmonic force fields are reported for 16 symmetric tops H<sub>3</sub>MX (M=C, Si, Ge, S...
This review surveys recent theoretical work from our group in the area of vibration-rotation spectro...
The anharmonic force field of BeH2 has been calculated near the basis set and n-particle space limit...
Phosphine oxide, OPH3, and phosphine sulphide, SPH3 have been studied ab initio using various combin...
We present the first analytic implementation of cubic and quartic force constants at the level of Ko...
Author Institution: North American Aviation Science CenterUsing the Green's function, we have genera...
High-level ab initio calculations with relatively large basis sets are reported for bromofluorometha...
The performances of the B3LYP density functional in the computation of harmonic and anharmonic frequ...
The cubic and quartic force fields of AsH3, SbH3, and BiH3 are determined from ab initio calculation...
Structural and vibrational-spectroscopic data of BiH3 have recently been reported for the first time...
The cubic and quartic force fields of the title compounds are determined from ab initio SCF calculat...
Theoretical anharmonic force fields are reported for 16 symmetric tops MH3X (M=C, Si, Ge, Sn; X=F, C...
Ab initio self-consistent-field calculations using effective core potentials and polarized double-ze...
Effects of basis set and electron correlation on the equilibrium geometry, force constants and vibra...
The complete cubic and quartic force fields of H3SiF and H3SiCl are predicted from ab initio SCF cal...
Theoretical harmonic force fields are reported for 16 symmetric tops H<sub>3</sub>MX (M=C, Si, Ge, S...
This review surveys recent theoretical work from our group in the area of vibration-rotation spectro...
The anharmonic force field of BeH2 has been calculated near the basis set and n-particle space limit...
Phosphine oxide, OPH3, and phosphine sulphide, SPH3 have been studied ab initio using various combin...
We present the first analytic implementation of cubic and quartic force constants at the level of Ko...
Author Institution: North American Aviation Science CenterUsing the Green's function, we have genera...
High-level ab initio calculations with relatively large basis sets are reported for bromofluorometha...
The performances of the B3LYP density functional in the computation of harmonic and anharmonic frequ...