An ab initio study on the equilibrium structure and torsional potential energy function of carbodiimide

Chemical Physics Letters

Volumn 295, Issue 5-6, 1998, Pages 462-466

  Koput, Jacek ^a   Jabs, Wolfgang ^b   Winnewisser, Manfred ^b  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

^b JUSTUS LIEBIG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001342627     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00976-2     Document Type: Article

References (19)

1. W. Jabs, M. Winnewisser, S.P. Belov, F. Lewen, F. Maiwald, G. Winnewisser, submitted.
2. Birk M., Winnewisser M. Chem. Phys. Lett. 123:1986;386.
3. Winnewisser M., Birk M. J. Chem. Soc. Faraday Trans. 2. 84:1988;1341.
4. Birk M., Winnewisser M., Cohen E.A. J. Mol. Spectrosc. 136:1989;402.
5. Pracna P., Winnewisser M., Winnewisser B.P. J. Mol. Spectrosc. 162:1993;127.
6. Wagener V., Winnewisser M., Bellini M. J. Mol. Spectrosc. 170:1995;323.
7. Jabs W., Winnewisser M., Belov S.P., Klaus Th., Winnewisser G. Chem. Phys. 225:1997;77.
8. Nguyen M.T., Riggs N.V., Radom L., Winnewisser M., Winnewisser B.P., Birk M. Chem. Phys. 122:1988;305.
9. Čižek J. J. Chem. Phys. 45:1966;4256.
10. Purvis G.D. III, Bartlett R.J. J. Chem. Phys. 76:1982;1910.
11. Raghavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 157:1989;479.
12. Scuseria G.E., Lee T.J. J. Chem. Phys. 93:1990;5851.
13. Dunning T.H. Jr. J. Chem. Phys. 90:1989;1007.
14. MOLPRO-96 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K.A. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor, R. Lindh, M.E. Mura, T. Thorsteinsson.
15. Hampel C., Peterson K.A., Werner H.-J. Chem. Phys. Lett. 190:1992;1.
16. Woon D.E., Dunning T.H. Jr. J. Chem. Phys. 103:1995;4572.
17. Feller D. J. Chem. Phys. 96:1992;6104.
18. Koput J. Chem. Phys. Lett. 236:1995;516.
19. Koput J. Chem. Phys. Lett. 259:1996;146.