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Volumn 5, Issue 5, 2005, Pages 1663-1666

Chiral vicinal bis(amide) molecules: Polar/helical assemblies in crystals and second harmonic generation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 25444519501     PISSN: 15287483     EISSN: None     Source Type: Journal    
DOI: 10.1021/cg0501231     Document Type: Article
Times cited : (26)

References (29)
  • 21
    • 25444477940 scopus 로고    scopus 로고
    • See the Supporting Information for details
    • See the Supporting Information for details.
  • 26
    • 25444456006 scopus 로고    scopus 로고
    • Fujitsu Inc., Japan
    • (b) MOPAC93; Fujitsu Inc., Japan. The molecular structure from the crystal structure and the alternate conformer obtained by rotating one of the amide groups were used as initial geometries for the full optimization calculations.
    • MOPAC93
  • 27
    • 0141704726 scopus 로고    scopus 로고
    • Gaussian, Inc.: Pittsburgh, PA
    • Gaussian 03, Revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003. The AM1 optimized structures were used as the initial geometry for the full optimization calculations.
    • (2003) Gaussian 03, Revision B.04
  • 28
    • 84986439503 scopus 로고
    • Dupuis, M.; Karna, S. J. Comput. Chem. 1991, 12, 487. The AM1 optimized geometries were used in the calculations.
    • (1991) J. Comput. Chem. , vol.12 , pp. 487
    • Dupuis, M.1    Karna, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.