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Volumn 110, Issue 21, 1999, Pages 10452-10467

A hybrid method for solutes in complex solvents: Density Functional Theory combined with empirical force fields

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000928098     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479049     Document Type: Article
Times cited : (295)

References (97)
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.