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Volumn 103, Issue 35, 1999, Pages 7042-7046

Molecular Orbital Study of Crystalline p-Benzoquinone

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0041722588     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990032c     Document Type: Article
Times cited : (30)

References (50)
  • 10
    • 0003400758 scopus 로고
    • Hartree - Fock ab-intitio treatment of crystalline systems
    • Pisani, C. Dovesi, R.; Roetti, C. Hartree - Fock ab-intitio treatment of crystalline systems, Lec. Notes Chem. 1988.
    • (1988) Lec. Notes Chem.
    • Pisani, C.1    Dovesi, R.2    Roetti, C.3
  • 11
    • 0041644245 scopus 로고    scopus 로고
    • "Diffuse" does not refer to the "+" functions which are sometimes used to augment standard basis sets
    • "Diffuse" does not refer to the "+" functions which are sometimes used to augment standard basis sets.
  • 34
    • 0000913618 scopus 로고    scopus 로고
    • See: Simon, S.; Duran, M.; Dannenberg, J. J. J. Phys. Chem. A. 1999, 103, 1640. Simon, S.; Duran, M.; Dannenberg, J. J. J. Chem. Phys. 1996, 105, 11024 and references therein.
    • (1999) J. Phys. Chem. A. , vol.103 , pp. 1640
    • Simon, S.1    Duran, M.2    Dannenberg, J.J.3
  • 35
    • 30244527819 scopus 로고    scopus 로고
    • and references therein
    • See: Simon, S.; Duran, M.; Dannenberg, J. J. J. Phys. Chem. A. 1999, 103, 1640. Simon, S.; Duran, M.; Dannenberg, J. J. J. Chem. Phys. 1996, 105, 11024 and references therein.
    • (1996) J. Chem. Phys. , vol.105 , pp. 11024
    • Simon, S.1    Duran, M.2    Dannenberg, J.J.3
  • 43
    • 0042145098 scopus 로고    scopus 로고
    • The interaction would be zero at the HF level if there are no multipole/multipole interactions
    • The interaction would be zero at the HF level if there are no multipole/multipole interactions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.