Some remarks concerning the application of the classical CNDO/2 method to phosphorus-containing molecules

作者: Jean François Labarre , Claude Leibovici

DOI: 10.1016/0022-2860(75)85023-X

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参考文章(13)
Marie-Chantal Bach-Chevaldonnet, François Crasnier, Jean-François Labarre, Claude Leibovici, Analyse conformationnelle théorique des complexes acide-base de lewis Journal of Molecular Structure. ,vol. 20, pp. 141- 146 ,(1974) , 10.1016/0022-2860(74)85077-5
Claude Leibovici, Structure électronique et origines des différences d'énergie entre isomères de rotation Journal of Molecular Structure. ,vol. 18, pp. 303- 307 ,(1973) , 10.1016/0022-2860(73)85233-0
Marie-Chantal Bach, François Crasnier, Jean-François Labarre, Claude Leibovici, Analyse conformationnelle et structure électronique de la phosphinodifluorophosphine, PH2-PF2 Journal of Molecular Structure. ,vol. 13, pp. 171- 177 ,(1972) , 10.1016/0022-2860(72)87004-2
G. Robinet, J.-F. Labarre, C. Leibovici, Theoretical conformational analysis (CNDO/2 method) and electronic structure of BIS(Difluorophosphino) ether, F2POPF2 Chemical Physics Letters. ,vol. 26, pp. 203- 209 ,(1974) , 10.1016/0009-2614(74)85397-2
R. L. Kuczkowski, David R. Lide, Microwave Spectrum, Structure, Dipole Moment, and Barrier to Internal Rotation of Phosphorus Trifluoride—Borane The Journal of Chemical Physics. ,vol. 46, pp. 357- 365 ,(1967) , 10.1063/1.1840394
D. P. Santry, Complete neglect of differential overlap calculations on second-row molecules Journal of the American Chemical Society. ,vol. 90, pp. 3309- 3313 ,(1968) , 10.1021/JA01015A002
M. Corosine, F. Crasnier, M.-C. Labarre, J.-F. Labarre, C. Leibovici, On the conformational analysis of (CH3)3M (M = N, P, CH, SiH) molecules: CNDO/2 calculations versus experimental data. LEM or calder conformation? Chemical Physics Letters. ,vol. 20, pp. 111- 115 ,(1973) , 10.1016/0009-2614(73)85232-7