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Spectrochimica Acta - Part A Molecular and Biomolecular Spectroscopy

Volumn 58, Issue 5, 2002, Pages 999-1011

Extension of the density functional derived scaled quantum mechanical force field procedure

(2) Kalincsák, Ferenc a Pongor, Gábor a

a EÖTVÖS LORÁND UNIVERSITY (Hungary)

Author keywords

Force fields; Nonmetallic; Organosilicon; SQM; Vibrational

Indexed keywords

LATTICE VIBRATIONS; MOLECULAR STRUCTURE; NUMERICAL ANALYSIS; ORGANIC COMPOUNDS; ORGANOMETALLICS; PROBABILITY DENSITY FUNCTION;

SCALED QUANTUM MECHANICAL (SQM) FORCE FIELDS; VIBRATIONAL SPECTRA;

QUANTUM THEORY;

SILANE DERIVATIVE; SILICON;

ARTICLE; BIOPHYSICS; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; QUANTUM THEORY;

BIOPHYSICS; QUANTUM THEORY; SILANES; SILICON; SPECTROPHOTOMETRY, INFRARED;

EID: 0037085673 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/S1386-1425(01)00572-8 Document Type: Article

Times cited : (53)

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