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Volumn 30, Issue 6, 2009, Pages 1875-1890

DFT study of structural and thermodynamic properties for polybrominated 5,10-dihydrophenazines

Author keywords

Density functional theory (DFT); Method of position of Br substitution; Polybrominated 5,10 dihydrophenazines; Structural parameters; Thermodynamic parameters

Indexed keywords

ATOM SUBSTITUTION; ATOMIC PARTIAL CHARGES; B3LYP/6-31G; DENSITY FUNCTIONAL THEORY METHODS; DFT STUDY; GAUSSIANS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IDEAL GAS; ISODESMIC REACTIONS; STANDARD ENTHALPY OF FORMATION; STRUCTURAL PARAMETER; THERMODYNAMIC PARAMETER;

EID: 74249090185     PISSN: 0195928X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10765-009-0662-7     Document Type: Article
Times cited : (5)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.