Equilibrium Structure of LiCCH

International Journal of Quantum Chemistry

Volumn 77, Issue 1, 2000, Pages 305-310

  Gauss, Jürgen ^a   Stanton, John F ^b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Coupled cluster calculations; Equilibrium geometry; Organolithium compounds; Vibration rotation interaction constants

Indexed keywords

EID: 0000305009     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)77:1<305::AID-QUA28>3.0.CO;2-N     Document Type: Article

References (25)

1. Methoden der Organischen Chemie (Houben Weyl), Carbanionen, Vol. E19d; Hanack, M., Ed.; Thieme: Stuttgart, 1993.
2. Weiss, E. Angew Chem Int Ed 1993, 32, 1501, and references therein.
3. Senge-Ruhlandt, K.; Ellison, J. J.; Wehmschulte, R. J.; Pauer, F.; Power, P. J Am Chem Soc 1993, 115, 11353; Schiemenz, B.; Power, P. Angew Chem Int Ed 1996, 35, 2150; Schiemenz, B.; Power, P. Organometalllics 1996, 15, 958; Atwood, J. L.; Fjeldberg, T.; Lappert, M. F.; Luong-Thi, N. T., Shakir, R.; Thorne, A. J. J Chem Soc Chem Commun 1984, 1163.
4. Senge-Ruhlandt, K.; Ellison, J. J.; Wehmschulte, R. J.; Pauer, F.; Power, P. J Am Chem Soc 1993, 115, 11353; Schiemenz, B.; Power, P. Angew Chem Int Ed 1996, 35, 2150; Schiemenz, B.; Power, P. Organometalllics 1996, 15, 958; Atwood, J. L.; Fjeldberg, T.; Lappert, M. F.; Luong-Thi, N. T., Shakir, R.; Thorne, A. J. J Chem Soc Chem Commun 1984, 1163.
5. Senge-Ruhlandt, K.; Ellison, J. J.; Wehmschulte, R. J.; Pauer, F.; Power, P. J Am Chem Soc 1993, 115, 11353; Schiemenz, B.; Power, P. Angew Chem Int Ed 1996, 35, 2150; Schiemenz, B.; Power, P. Organometalllics 1996, 15, 958; Atwood, J. L.; Fjeldberg, T.; Lappert, M. F.; Luong-Thi, N. T., Shakir, R.; Thorne, A. J. J Chem Soc Chem Commun 1984, 1163.
6. Senge-Ruhlandt, K.; Ellison, J. J.; Wehmschulte, R. J.; Pauer, F.; Power, P. J Am Chem Soc 1993, 115, 11353; Schiemenz, B.; Power, P. Angew Chem Int Ed 1996, 35, 2150; Schiemenz, B.; Power, P. Organometalllics 1996, 15, 958; Atwood, J. L.; Fjeldberg, T.; Lappert, M. F.; Luong-Thi, N. T., Shakir, R.; Thorne, A. J. J Chem Soc Chem Commun 1984, 1163.
7. Grotjahn, D. B.; Pesch, T. C.; Xin, J.; Ziurys, L. M. J Am Chem Soc 1997, 119, 12368.
8. Grotjahn, D. B.; Apponi, A. J.; Brewster, M. A.; Xin, J.; Ziurys, L. M. Angew Chem 1998, 110, 2824.
9. Purvis, G. D.; Barlett, R. J. J Chem Phys 1982, 76, 1910.
10. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem Phys Lett 1989, 157, 479.
11. Botschwina, P.; Oswald, M.; Flügge, J.; Heyl, A.; Oswald, R. Chem Phys Lett 1993, 209, 117.
12. Helgaker, T.; Gauss, J.; Jørgensen, P.; Olsen, J. J Chem Phys 1997, 106, 6430.
13. Halkier, A.; Jørgensen, P.; Gauss, J.; Helgaker, T. Chem Phys Lett 1997, 274, 235.
14. Lee, T. J.; Scuseria, G. E. In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy; Langhoff, S. R., Ed.; Kluwer Academic: Dordrecht, 1995, p. 47.
15. Widmark, P. O.; Malmqvist, P.-Å.; Roos, B. O. Theo Chim Acta 1990, 79, 290.
16. Dunning, T. H. J Chem Phys 1989, 90, 1007.
17. Huber, K. P.; Herzberg, G. Constants of Diatomic Molecules, Van Nostrand Reinhold: New York, 1979.
18. Kostyk, E.; Welsh, H. L. Can J Phys 1980, 58, 912.
19. Mills, I. M. In Modern Spectroscopy: Modern Research; Rao, K. N., Matthews, C. W., Eds.; Academic: New York, 1972, p. 115.
20. Stanton, J. F.; Lopreore, C.; Gauss, J. J Chem Phys 1998, 108, 7190.
21. Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. Int J Quant Chem Symp 1992, 26, 879.
22. Gauss, J.; Stanton, J. F. Chem Phys Lett 1997, 276, 70.
23. Gauss, J.; Stanton, J. F. J Mol Struct, to appear.
24. Stanton, J. F. Mol Phys, to appear.
25. Bartel, C.; Botschwina, P.; Bürger, H.; Guarnieri, A.; Heyl, Ä.; Huckauf, A.; Lentz, D.; Merzliak, T.; Mkdami, E. B. Angew Chem 1998, 110, 3036.