PREDICTION OF THE MOLECULAR-STRUCTURE, INTERNAL ROTATIONAL BARRIERS AND VIBRATIONAL FREQUENCIES OF FORMAMIDE BY NONLOCAL DENSITY-FUNCTIONALTHEORY

Authors
AXE FU RENUGOPALAKRISHNAN V HAGLER AT
Citation
Fu. Axe et al., PREDICTION OF THE MOLECULAR-STRUCTURE, INTERNAL ROTATIONAL BARRIERS AND VIBRATIONAL FREQUENCIES OF FORMAMIDE BY NONLOCAL DENSITY-FUNCTIONALTHEORY, Journal of chemical research. Synopses, (1), 1998, pp. 1
Citations number
65
Categorie Soggetti
Chemistry
Journal title
Journal of chemical research. Synopses → ACNP
ISSN journal
03082342
Issue
1
Year of publication
1998
Database
ISI
SICI code
0308-2342(1998):1<1:POTMIR>2.0.ZU;2-P
Abstract
A state-of-the-art non-local density functional study of formamide is reported and compared with experimental molecular structure, internal rotational barriers and vibrational frequencies.