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Volumn 29, Issue 22, 1996, Pages 5283-5303

Configuration-interaction calculations of miscellaneous properties of the CP and CP- molecules: I. CP (X 2∑+) ground state

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON INORGANIC COMPOUNDS; CONVERGENCE OF NUMERICAL METHODS; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS;

EID: 0030283031     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/29/22/009     Document Type: Article
Times cited : (17)

References (53)
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    • 1996 to be published
    • _1996 to be published
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    • INTENSITY 1978 This program has been written by Zemke W T and Stwalley W C Department of Chemistry, Wartburg College, Waverley, IA 5067, USA
    • INTENSITY 1978 This program has been written by Zemke W T and Stwalley W C Department of Chemistry, Wartburg College, Waverley, IA 5067, USA
  • 23
    • 4243088089 scopus 로고    scopus 로고
    • note
    • MELDF-X 1993/1994 is a system of ab initio programs written by McMurchie L, Elbert S T, Langhoff S and Davidson E R. These programs have been substantially modified by Feller D, Cave R J, Rawlings D, Frey R, Daasch R, Nitzche L, Phillips P, Iberle K, Jackels C and Davidson E R.
  • 24
    • 4243181259 scopus 로고    scopus 로고
    • note
    • MOLPRO 1992-94 is a package of ab initio programs written by Werner H-J and Knowles P J with contributions by Almlöf J, Amos R D, Deegan M J O, Elbert S T, Hampel C, Meyer W, Peterson K A, Pitzer R M, Stone A J and Taylor P R.
  • 28
    • 0000561826 scopus 로고
    • _1993b J. Chem. Phys. 99 9790
    • (1993) J. Chem. Phys. , vol.99 , pp. 9790
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    • 4243183494 scopus 로고    scopus 로고
    • Private communication
    • Rosmus P 1996 Private communication
    • (1996)
    • Rosmus, P.1
  • 39
    • 4243051374 scopus 로고    scopus 로고
    • SPLINE 1978 This program has been written by Kaiser K A Data Processing, Campus Box 68, Southern Illinois University, Edwardsville, IL 62026, USA
    • SPLINE 1978 This program has been written by Kaiser K A Data Processing, Campus Box 68, Southern Illinois University, Edwardsville, IL 62026, USA
  • 45
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    • VIBROT 1978/1979 Vibration-rotation analysis program for diatomic molecules written by Dunning T H Jr. This program has been modified by Eades R (1983) and Feller D (1990)
    • VIBROT 1978/1979 Vibration-rotation analysis program for diatomic molecules written by Dunning T H Jr. This program has been modified by Eades R (1983) and Feller D (1990).
  • 47
    • 4243051375 scopus 로고    scopus 로고
    • Werner H-J and Knowles 1988
    • Werner H-J and Knowles 1988
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    • Werner H-J et al 1992-4, see MOLPRO 1992-4
    • Werner H-J et al 1992-4, see MOLPRO 1992-4
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    • 36449002303 scopus 로고
    • _1994 J. Chem. Phys. 101 8877
    • (1994) J. Chem. Phys. , vol.101 , pp. 8877
  • 53
    • 4243163125 scopus 로고    scopus 로고
    • Version 1.0. This database contains the correlation-consistent basis sets for atoms of the first to third period
    • _The Extensible Computational Chemistry Environment Basis Set Database 1996 Version 1.0. This database contains the correlation-consistent basis sets for atoms of the first to third period.
    • (1996) The Extensible Computational Chemistry Environment Basis Set Database


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.