Calculating relative intensities for CH stretching polyads of CHI3 with ab initio dipole moment surface
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[1] L. Halonen,et al. Overtone Frequencies and Intensities in the Local Mode Picture , 2007 .
[2] Xiao-Gang Wang,et al. The ab initio calculated dipole moment surface and overtone relative intensities of CH chromophore in CHCl3 , 2000 .
[3] Qing-shi Zhu,et al. Local mode overtone intensities of SiH4 and GeH4 from a bond dipole model with an ab initio calculated dipole moment surface , 1999 .
[4] O. Sala,et al. Overtone spectrum of the CH chromophore in CHI3 , 1995 .
[5] E. Kauppi. Effects of X3 frame vibrations on the CH chromophore in CHX3 type molecules: Harmonic coupling in curvilinear internal coordinate approach , 1994 .
[6] E. Kauppi. Improvements in a Curvilinear Internal Coordinate Model for the CH Stretching and Bending Vibrations in Trihalomethanes , 1994 .
[7] M. Quack,et al. Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine‐dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations , 1994 .
[8] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[9] Wang,et al. Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.
[10] H. Kjaergaard,et al. The relative intensity contributions of axial and equatorial CH bonds in the local mode overtone spectra of cyclohexane , 1992 .
[11] R. Zare,et al. Fermi resonance in the overtone spectra of the CH chromophore in tribromomethane. 2. Visible spectra , 1991 .
[12] Krishnan Raghavachari,et al. Highly correlated systems. Ionization energies of first row transition metals Sc–Zn , 1989 .
[13] L. Halonen,et al. Fermi resonances between CH stretching and bending vibrations in CHF3, CHCl3, and (CF3)3CH , 1989 .
[14] M. Quack,et al. Fermi resonance in the overtone spectra of the CH chromophore in bromoform , 1989 .
[15] M. Quack,et al. Vibrational spectrum and potential energy surface of the CH chromophore in CHD3 , 1988 .
[16] E. Weitz,et al. Dye laser photoacoustic overtone spectroscopy of CHBr3 , 1988 .
[17] W. Green,et al. Kinetic anharmonic coupling in the trihalomethanes: A mechanism for rapid intramolecular redistribution of CH stretch vibrational energy , 1987 .
[18] J. S. Wong,et al. Coupling of CH stretching and bending vibrations in trihalomethanes , 1987 .
[19] M. Quack,et al. Vibrational overtone intensities of the isolated CH and CD chromophores in fluoroform and chloroform , 1986 .
[20] A. C. Albrecht,et al. Local mode oscillator strengths in benzene , 1979 .
[21] Qing-shi Zhu,et al. Nonlinearity of the Dipole Moment Surface and Intensities Anomaly of CHCl3 , 2000 .
[22] T. Carrington,et al. Fermi resonance in CHX3: a Hamiltonian in symmetrized curvilinear internal coordinates , 1987 .
[23] W. R. Wadt,et al. Ab initio effective core potentials for molecular calculations , 1984 .