SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 10, 2001, Pages 2243-2250

Application of Ab initio molecular dynamics for A priori elucidation of the mechanism in unimolecular decomposition: The case of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO)

(2) Yim, W L a Liu, Z F a

a CHINESE UNIVERSITY OF HONG KONG (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

HOMOLYSIS;

CHEMICAL BONDS; DISSOCIATION; ENTROPY; HYDROGEN; PYROLYSIS;

MOLECULAR DYNAMICS;

5 NITRO 2,4 DIHYDRO 3H 1,2,4 TRIAZOL 3 ONE; TRIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; DECOMPOSITION; DENSITY; HIGH TEMPERATURE; MOLECULAR DYNAMICS; MOLECULE; THEORETICAL STUDY; THERMAL ANALYSIS;

EID: 0034806955 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0019023 Document Type: Article

Times cited : (54)

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