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Volumn 18, Issue 1, 1997, Pages 45-55

Geometry optimization of metal complexes using natural internal coordinates: Representation of skeletal degrees of freedom

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Indexed keywords


EID: 0007847559     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1096-987x(19970115)18:1<45::aid-jcc5>3.0.co;2-%23     Document Type: Article
Times cited : (14)

References (25)
  • 2
    • 85080474387 scopus 로고
    • University of Arkansas, Fayetteville, AK
    • (b) P. Pulay and G. Fogarasi, INTC program, University of Arkansas, Fayetteville, AK, 1990. This program automatically prepares the input for optimization in natural internal coordinates.
    • (1990) INTC Program
    • Pulay, P.1    Fogarasi, G.2
  • 13
    • 5944261746 scopus 로고
    • (c) J. P. Perdew, Phys. Rev. B, 33, 8822 (1986), ibid., 34, 7046 (1986).
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 14
    • 5944261746 scopus 로고
    • (c) J. P. Perdew, Phys. Rev. B, 33, 8822 (1986), ibid., 34, 7046 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 7046
  • 18
    • 85080531977 scopus 로고    scopus 로고
    • Programmed by A. G. Csaszar and P. G. Szalay, Eötvös University, Budapest, Hungary, 1984
    • Programmed by A. G. Csaszar and P. G. Szalay, Eötvös University, Budapest, Hungary, 1984.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.