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Volumn 103, Issue 2-10, 1999, Pages 1381-1393

Symmetry Force Fields for Neutral and Ionic Transition Metal Carbonyl Complexes from Density Functional Theory

Author keywords

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Indexed keywords


EID: 0000752113     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp983600h     Document Type: Article
Times cited : (28)

References (71)
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    • private communication, Stuttgart
    • 3+ ion.
    • Stoll, H.1
  • 28
    • 0004003691 scopus 로고
    • McGraw-Hill: New York
    • INTDER95 is a general program developed by Wesley D. Allen and co-workers that performs various vibrational analyses and higher order nonlinear transformations among force field representations. At the harmonic level, the transformations are elementary and involve standard B-matrix techniques; see, e.g., ref 1, pp 148-152 and the following: (a) Wilson, E. B., Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955. (b) Califano, S. Vibrational States; Wiley: New York, 1976.
    • (1955) Molecular Vibrations
    • Wilson E.B., Jr.1    Decius, J.C.2    Cross, P.C.3
  • 29
    • 0004123902 scopus 로고
    • Wiley: New York
    • INTDER95 is a general program developed by Wesley D. Allen and co-workers that performs various vibrational analyses and higher order nonlinear transformations among force field representations. At the harmonic level, the transformations are elementary and involve standard B-matrix techniques; see, e.g., ref 1, pp 148-152 and the following: (a) Wilson, E. B., Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955. (b) Califano, S. Vibrational States; Wiley: New York, 1976.
    • (1976) Vibrational States
    • Califano, S.1
  • 35
    • 85088669822 scopus 로고    scopus 로고
    • note
    • 13, which resulted in numerical instability of the corresponding intensities) when using the standard (75, 302) integration grid. The results given refer to the (85, 434) integration grid.
  • 38
    • 85088668041 scopus 로고    scopus 로고
    • note
    • 4/amu.
  • 58
    • 85088669526 scopus 로고    scopus 로고
    • 6+, no minimum could be located
    • 6+, no minimum could be located.
  • 61
    • 0000344434 scopus 로고    scopus 로고
    • Willner, H.; Aubke, F. Angew. Chem. 1997, 109, 2506; Angew. Chem., Int. Ed. Engl. 1997, 36, 2402.
    • (1997) Angew. Chem. , vol.109 , pp. 2506
    • Willner, H.1    Aubke, F.2
  • 62
    • 0031457417 scopus 로고    scopus 로고
    • Willner, H.; Aubke, F. Angew. Chem. 1997, 109, 2506; Angew. Chem., Int. Ed. Engl. 1997, 36, 2402.
    • (1997) Angew. Chem., Int. Ed. Engl. , vol.36 , pp. 2402
  • 67
    • 0029902915 scopus 로고    scopus 로고
    • Bach, C.; Willner, H.; Wang, C.; Rettig, S. J.; Trotter, J.; Aubke, F. Angew. Chem. 1996, 108, 2104; Angew. Chem., Int. Ed. Engl. 1996, 35, 1974.
    • (1996) Angew. Chem., Int. Ed. Engl. , vol.35 , pp. 1974


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.