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Volumn 725, Issue 1-3, 2005, Pages 31-37

A simple method for reaction rate prediction of ester hydrolysis

Author keywords

Ester hydrolysis; Linear regression; Quantum mechanic; Reaction rate prediction; Variable selection

Indexed keywords


EID: 21944443318     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.086     Document Type: Article
Times cited : (13)

References (26)
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    • The American Society of Health-System Pharmacists, Inc.
    • G.K. McEvoy AHFS Drug Information 1999 The American Society of Health-System Pharmacists, Inc.
    • (1999) AHFS Drug Information
    • McEvoy, G.K.1
  • 12
    • 34447260582 scopus 로고
    • 3 is a module available in of Materials StudioB.J. Delley Chem. Phys. 92 1990 508
    • (1990) Chem. Phys. , vol.92 , pp. 508
    • Delley, B.J.1
  • 24
    • 21944454820 scopus 로고    scopus 로고
    • note
    • ESP fitted charge as well as hirthfeld charge are also calculated and the regression results do not show advantage against Mulliken charge.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.