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Journal of Molecular Structure: THEOCHEM

Volumn 572, Issue 1-3, 2001, Pages 213-221

Studies on the molecular structures, vibrational spectra and thermodynamic properties of organic nitrates using density functional theory and ab initio methods

(2) Gong, X D a Xiao, H M a

a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (China)

Author keywords

Ab initio method; Density functional theory; Nitric acid esters; Structure; Thermodynamic property

Indexed keywords

BUTYL NITRATE; ESTER; ETHYL NITRATE; ETHYLENE GLYCOL DERIVATIVE; ETHYLENE GLYCOL DINITRATE; GLYCERYL TRINITRATE; ISOPROPYL NITRATE; METHYL NITRATE; NITRIC ACID DERIVATIVE; ORGANIC NITRATE; PROPYL NITRATE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CALCULATION; CHEMICAL STRUCTURE; ENERGY; GAS; GEOMETRY; HEAT; NEBULIZATION; REACTION ANALYSIS; STRUCTURE ANALYSIS; SYNTHESIS; THEORY; THERMODYNAMICS;

EID: 0035903855 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00633-9 Document Type: Article

Times cited : (31)

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