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Volumn 5, Issue 9, 2009, Pages 2378-2387

Theoretical study of the X2NO systems (X) F, Cl, Br, I): Effects of halogen substitution on structural and spectroscopic properties

Author keywords

[No Author keywords available]

Indexed keywords


EID: 71749096093     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct9001762     Document Type: Article
Times cited : (15)

References (55)
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    • MOLPRO (version 2006. 1) is a package of ab initio programs written by the following: Werner, H.-J., Knowles, P.J., with contribution from Almlöf, J., Amos, R.D., Berning, A., Deegan, M.J.O., Eckert, F., Elbert, S.T., Hampel, C., Lindh, R., Meyer, W., Nicklass, A., Peterson, K., Pitzer, R., Stone, A.J., Taylor, P.R., Mura, M.E., Pulay, P., Schütz, M., Stoll, H., Thorsteinsson, T., Cooper, D.L.
    • MOLPRO (version 2006. 1) is a package of ab initio programs written by the following: Werner, H.-J., Knowles, P.J., with contribution from Almlöf, J., Amos, R.D., Berning, A., Deegan, M.J.O., Eckert, F., Elbert, S.T., Hampel, C., Lindh, R., Meyer, W., Nicklass, A., Peterson, K., Pitzer, R., Stone, A.J., Taylor, P.R., Mura, M.E., Pulay, P., Schütz, M., Stoll, H., Thorsteinsson, T., Cooper, D.L.
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    • MRCC, a generalized CC/CI program by M. Kállay, see
    • MRCC, a generalized CC/CI program by M. Kállay, see http://www.mrcc.hu.
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    • Fermi, E.Z. Phys. 1930, 60, 320-333.
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    • unpublished results
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    • (2000)
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    • CFOUR (development version). A quantum chemical program package written by Stanton, J.F.; Gauss, J.; Harding, M.E.; Szalay, P.G. with contributions from Auer, A.A.; Bartlett, R.J.; Benedikt, U.; Berger, C.; Bernholdt, D.E.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jusélius, J.; Klein, K.; Lauderdale, W.J.; Matthews, D.; Metzroth, T.; O'Neill, D.P.; Price, D.R.; Prochnow, E.; Ruud, K.; Schiffmann, F.; Stopkowicz, S.; Tajti, A.; Varner, M.E.; Vázquez, J.; Wang, F.; Watts, J.D. and the integral packages MOLECULE (Almlöf, J.; Taylor, P.R.), PROPS (Taylor, P.R.), ABACUS (Helgaker, T.; Jensen, H.J. Aa.; Jørgensen, P.; Olsen, J.), and ECP routines by Mitin, A.V.; van Wüllen, C. For the current public version, see
    • CFOUR (development version). A quantum chemical program package written by Stanton, J.F.; Gauss, J.; Harding, M.E.; Szalay, P.G. with contributions from Auer, A.A.; Bartlett, R.J.; Benedikt, U.; Berger, C.; Bernholdt, D.E.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jusélius, J.; Klein, K.; Lauderdale, W.J.; Matthews, D.; Metzroth, T.; O'Neill, D.P.; Price, D.R.; Prochnow, E.; Ruud, K.; Schiffmann, F.; Stopkowicz, S.; Tajti, A.; Varner, M.E.; Vázquez, J.; Wang, F.; Watts, J.D. and the integral packages MOLECULE (Almlöf, J.; Taylor, P.R.), PROPS (Taylor, P.R.), ABACUS (Helgaker, T.; Jensen, H.J. Aa.; Jørgensen, P.; Olsen, J.), and ECP routines by Mitin, A.V.; van Wüllen, C. For the current public version, see http://www.cfour.de.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.