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Volumn 3, Issue 1, 2007, Pages 42-45

Stereoelectronic substituent effects in saturated main group molecules: Severe problems of current Kohn-Sham density functional theory

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EID: 33947233977     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct600224b     Document Type: Article
Times cited : (73)

References (36)
  • 14
    • 31144454180 scopus 로고    scopus 로고
    • Grimme, S. J. Chem. Phys. 2006, 124, 034108-16.
    • (2006) J. Chem. Phys , vol.124 , pp. 034108-034116
    • Grimme, S.1
  • 15
    • 35048873190 scopus 로고    scopus 로고
    • Grimme, S. Angew. Chem. 2006, 118, 4571-4575. Grimme, S. Angew. Chem., Int. Ed. 2006, 45, 4460-4464.
    • Grimme, S. Angew. Chem. 2006, 118, 4571-4575. Grimme, S. Angew. Chem., Int. Ed. 2006, 45, 4460-4464.
  • 16
    • 35048891499 scopus 로고    scopus 로고
    • We use the term 'stereoelectronic' in a broader sense as e.g. some organic chemists who restrict it to conformational (e.g. gauche or anomeric) effects
    • We use the term 'stereoelectronic' in a broader sense as e.g. some organic chemists who restrict it to conformational (e.g. gauche or anomeric) effects.
  • 30
    • 35048882434 scopus 로고    scopus 로고
    • Ahlrichs, R, et al. TURBOMOLE Vers. 5.6, Universität Karlsruhe, 2003. See. also
    • Ahlrichs, R., et al. TURBOMOLE (Vers. 5.6); Universität Karlsruhe, 2003. See. also: http://www.turbomole.com.
  • 32
    • 0942268401 scopus 로고    scopus 로고
    • Weigend, F.; Furche, F.; Ahlrichs, R. J. Chem. Phys. 2003, 119, 12753-12762. The basis sets are available from the TURBOMOLE homepage via the FTP Server Button (in the subdirectories basen, jbasen, and ebasen). See http://www.turbomole.com.
    • Weigend, F.; Furche, F.; Ahlrichs, R. J. Chem. Phys. 2003, 119, 12753-12762. The basis sets are available from the TURBOMOLE homepage via the FTP Server Button (in the subdirectories basen, jbasen, and ebasen). See http://www.turbomole.com.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.