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Volumn 105, Issue 5-7, 2007, Pages 599-611

A theoretical study of CoCN in the 3Φ electronic ground state

Author keywords

3 CoCN; Ab initio; Rotation vibration spectrum; Structure

Indexed keywords

GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES;

EID: 34249074439     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970601126734     Document Type: Article
Times cited : (18)

References (45)
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    • MOLPRO, version 2002.6, is a package of ab initio programs designed by H.-J. Werner and P. J. Knowles. It is based on previous versions by R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, and H.-J. Werner.
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    • C. W. Bauschlicher Jr, S. R. Langhoff, H. Partridge, and L. A. Barnes, J. Chem. Phys. 91, 2399 (1989). A Wachters +/ basis set from the EMSL Basis Set Library (http:// www.emsl.pnl.gov/forms/basisform.html) was employed.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.