Force field calculation of molecules with isotopomers of different symmetries in vibrational spectral analysis

Journal of Molecular Structure: THEOCHEM

Volumn 574, Issue 1-3, 2001, Pages 245-254

  Ragubanshi, Devesh ^a   Maheshwary, Shruti ^a   Manogaran, Sadasivam ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

Frequency fit; Isotopomers; Non redundant force field; Redundancy relations; Vibrational spectra

Indexed keywords

BENZENE DERIVATIVE; ETHYLENE DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CALCULATION; CHEMICAL MODIFICATION; ENERGY; FORCE; MOLECULAR DYNAMICS; SPECTROSCOPY; STRUCTURE ANALYSIS; VIBRATION;

EID: 0035900239     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00639-X     Document Type: Article

References (21)

1. Molecular Vibrations
2. Vibrational Spectra and Structure