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Volumn 118, Issue 30, 1996, Pages 7153-7157

Computer prediction of organic crystal structures using partial X-ray diffraction data

Author keywords

[No Author keywords available]

Indexed keywords

INDAN DERIVATIVE; POLYCYCLIC HYDROCARBON; PYRAZINE DERIVATIVE;

EID: 0029785483     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9540637     Document Type: Article
Times cited : (70)

References (33)
  • 5
    • 0542377811 scopus 로고
    • The procedure relies in its final stage on the PCK83 software (ref 13)
    • Gavezzotti, A. J. Am. Chem. Soc. 1991, 113, 4622. The procedure relies in its final stage on the PCK83 software (ref 13).
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 4622
    • Gavezzotti, A.1
  • 14
    • 9344247565 scopus 로고    scopus 로고
    • Personal communication
    • Hiller, W. Personal communication.
    • Hiller, W.1
  • 16
    • 1842282888 scopus 로고
    • Quantum Chemistry Program Exchange; Chemistry Department, Indiana University, Bloomington, IN
    • Williams, D. E. PCK83; QCPE Program 548; Quantum Chemistry Program Exchange; Chemistry Department, Indiana University, Bloomington, IN, 1983.
    • (1983) PCK83; QCPE Program 548
    • Williams, D.E.1
  • 31
    • 9344248148 scopus 로고    scopus 로고
    • note
    • Charge separations: C-Cl, 0.2 electron; C-H, 0.1 electron; COOH charge parameters, 0.5, -0.4, -0.3, 0.2 electron, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.