Structures and Energetics of Planar and Tetrahedral Dilithiomethane. A Near Degeneracy of Singlet and Triplet Electronic States

Journal of the American Chemical Society

Volumn 100, Issue 18, 1978, Pages 5972-5973

  Laidig, William D ^a   Schaefer, Henry F ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012056410     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00486a075     Document Type: Article

References (12)

1. J. B. Collins, J. D. Dill, E. D. Jemmis, V. Apeloig, P. v. R. Schleyer, R. Seeger and J. A. Pople, J. Am. Chem. Soc., 98, 5419 (1976).
2. T. H. Maugh, Science, 194, 413 (1976).
3. P. O. Löwdin, Adv. Chem. Phys., 2, 207 (1959).
4. H. F. Schaefer, “The Electronic Structure of Atoms and Molecules: A Survey of Rigorous Quantum Mechanical Results”, Addison-Wesley, Reading, Mass., 1972.
5. T. H. Dunning and P. J. Hay, “Modern Theoretical Chemistry, Vol. 3, H. F. Schaefer, Ed., Plenum Press, New York, N.V., 1977.
6. B. O. Roos and P. M. Siegbahn, Adv. Chem. Phys., 99, 7716 (1977).
7. L. B. Harding and W. A. Goddard, J. Chem. Phys., 67, 1777 (1977).
8. C. W. Bauschlicher and I. Shavitt, J. Am. Chem. Soc., 100, 739 (1978).
9. B. Roos, Chem. Phys. Lett., 15, 153 (1972).
10. R. R. Lucchese and H. F. Schaefer, J. Chem. Phys., 68, 769 (1978).
11. E. R. Davidson and D. W. Silver, Chem. Phys. Lett., 22, 403 (1978).
12. R. R. Lucchese, B. R. Brooks, J. H. Meadows, W. C. Swope and H. F. Schaefer, J. Comput. Phys., 26, 243 (1978).