The H2CO potential energy surface: Advanced ab initio and density functional theory study

Journal of Molecular Structure: THEOCHEM

Volumn 634, Issue 1-3, 2003, Pages 127-135

  Jalbout, Abraham F ^a   Chang, Chia M ^b  

^a UNIVERSITY OF NEW ORLEANS   (United States)

^b NATIONAL CHUNG HSING UNIVERSITY   (Taiwan)

Author keywords

B3LYP; CBS QB3; Formaldehyde; G3B3; H2CO; Potential energy surface

Indexed keywords

FORMALDEHYDE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ENERGY; ISOMERISM; NORMAL DISTRIBUTION; REACTION ANALYSIS; SURFACE PROPERTY; THEORY;

EID: 0041375534     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00336-1     Document Type: Article

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