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Volumn 103, Issue 50, 1999, Pages 11194-11199

Ab initio calculations of absolute pKa values in aqueous solution I. Carboxylic acids

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84962425656     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9836473     Document Type: Article
Times cited : (144)

References (44)
  • 1
    • 0039821185 scopus 로고
    • Guilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds; Pergamon Press: New York
    • The Pharmacological Basis of Therapeutics, 8th ed.; Guilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds; Pergamon Press: New York, 1990.
    • (1990) The Pharmacological Basis of Therapeutics, 8th Ed.
  • 32
    • 84962448665 scopus 로고    scopus 로고
    • POLYGRAF v 3.2.1, Molecular Simulation Inc., 1992
    • POLYGRAF v 3.2.1, Molecular Simulation Inc., 1992.
  • 39
    • 84962444470 scopus 로고    scopus 로고
    • personal communication
    • Mennucci, B., personal communication.
    • Mennucci, B.1
  • 42
    • 84962410147 scopus 로고    scopus 로고
    • note
    • The molecular cavities in Figure 3 were obtained using the program GEOMVIEW vl.6.1 (Software Development Group, Geometry Center, 1300 South 2nd St, Suite 500, Minneapolis, MN 55454, USA). The interface GEOMVIEW/GAUSSIAN94 was written by C. Pommeli.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.