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Spectrochimica Acta - Part A Molecular and Biomolecular Spectroscopy

Volumn 57, Issue 1, 2001, Pages 9-15

Core molecular orbital contribution to N2O isomerization as studied using theoretical electron momentum spectroscopy

(5) Wang, Feng a,d Larkins, Frank P a Brunger, Michael J b Michalewicz, Marek T c Winkler, Dave A c

a UNIVERSITY OF MELBOURNE (Australia)

b FLINDERS UNIVERSITY (Australia)

c CSIRO (Australia)

d SICHUAN UNIVERSITY (China)

Author keywords

Core molecular orbital contribution; Density functional theory calculation; Electron momentum spectroscopy; N2O isomerization

Indexed keywords

NITROUS OXIDE;

ARTICLE; CHEMISTRY; ELECTRON; ISOMERISM; METHODOLOGY; QUANTUM THEORY; SPECTROSCOPY;

ELECTRONS; ISOMERISM; NITROUS OXIDE; QUANTUM THEORY; SPECTRUM ANALYSIS;

APPROXIMATION THEORY; ELECTRON SPECTROSCOPY; ELECTRONIC STRUCTURE; FUNCTIONS; ISOMERIZATION; ISOMERS; QUANTUM THEORY;

CORE MOLECULAR ORBITAL CONTRIBUTION; DENSITY FUNCTIONAL THEORY; ELECTRON MOMENTUM SPECTROSCOPY;

NITROGEN OXIDES;

EID: 0034742778 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/S1386-1425(00)00335-8 Document Type: Article

Times cited : (14)

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