Add to ORKGA complete survey of the various expressions reported by different authors for transition moment mat...
ABSTRACT: A new electrostatic model for the calculation of infrared intensities in molecular mechani...
Oscillator strengths and integrated absorption intensities of simple vibrational absorption (infrare...
AbstractThe use of ab initio methods to calculate line positions and associated transition intensiti...
Modern nonempirical calculations of the rotation-vibration spectra of small molecules often use a di...
Author Institution: Department of Chemistry, Harvard UniversityA novel method for obtaining infrared...
Ab initio MD simulation of laser-matter interactions is a hot area in the study of the mechanisms of...
1B.J. Krohn and C.W. Kern, J. Chem. Phys. 69 5310 (1978). Address of Hsieh and Ermler: Department of...
We have performed a detailed ab initio computation of the dipole moment surface, the vibrational tr...
This paper is the second part of a series devoted to the ab initio calculation of vibrational proper...
A new dipole moment surface (DMS) for methyl chloride has been generated at the CCSD(T)/aug-cc-pVQZ(...
$^{1}$ P. Botschwina, Chem. Phys. 40, 33(1979); ibid, 68, 41(1982) $^{2}$ W. Meyer, J. Chem. Phys. 5...
Author Institution: Department of Chemistry and Theoretical Chemistry Institute, University of Wisco...
Author Institution: Department of Chemistry University of Southern California, Los Angeles, Californ...
New nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of methane in its ground...
A complete survey of the various expressions reported by different authors for transition moment mat...
ABSTRACT: A new electrostatic model for the calculation of infrared intensities in molecular mechani...
Oscillator strengths and integrated absorption intensities of simple vibrational absorption (infrare...
AbstractThe use of ab initio methods to calculate line positions and associated transition intensiti...
Modern nonempirical calculations of the rotation-vibration spectra of small molecules often use a di...
Author Institution: Department of Chemistry, Harvard UniversityA novel method for obtaining infrared...
Ab initio MD simulation of laser-matter interactions is a hot area in the study of the mechanisms of...
1B.J. Krohn and C.W. Kern, J. Chem. Phys. 69 5310 (1978). Address of Hsieh and Ermler: Department of...
We have performed a detailed ab initio computation of the dipole moment surface, the vibrational tr...
This paper is the second part of a series devoted to the ab initio calculation of vibrational proper...
A new dipole moment surface (DMS) for methyl chloride has been generated at the CCSD(T)/aug-cc-pVQZ(...
$^{1}$ P. Botschwina, Chem. Phys. 40, 33(1979); ibid, 68, 41(1982) $^{2}$ W. Meyer, J. Chem. Phys. 5...
Author Institution: Department of Chemistry and Theoretical Chemistry Institute, University of Wisco...
Author Institution: Department of Chemistry University of Southern California, Los Angeles, Californ...
New nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of methane in its ground...
A complete survey of the various expressions reported by different authors for transition moment mat...
ABSTRACT: A new electrostatic model for the calculation of infrared intensities in molecular mechani...
Oscillator strengths and integrated absorption intensities of simple vibrational absorption (infrare...