Theoretical investigation of the potential energy surface for the NH2+NO reaction via density functional theory and ab initio molecular electronic structure theory

Diau, Ewg and Smith, SC (1997) Theoretical investigation of the potential energy surface for the NH2+NO reaction via density functional theory and ab initio molecular electronic structure theory. Journal of Chemical Physics, 106 22: 9236-9251. doi:10.1063/1.474025

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Author Diau, Ewg
Smith, SC
Title Theoretical investigation of the potential energy surface for the NH2+NO reaction via density functional theory and ab initio molecular electronic structure theory
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
Publication date 1997-06-01
Sub-type Article (original research)
DOI 10.1063/1.474025
Open Access Status File (Publisher version)
Volume 106
Issue 22
Start page 9236
End page 9251
Total pages 16
Language eng
Keyword Quadratic Configuration-Interaction
Set Model Chemistry
Gaussian-Basis Sets
Open-Shell Systems
Transition-States
Branching Ratio
Wave-Functions
Vibrational Frequencies
Kinetic Measurements
Accurate Quadrature
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: ResearcherID Downloads - Archived
 
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Citation counts: TR Web of Science Citation Count  Cited 27 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 27 times in Scopus Article | Citations
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