Tetramethylene: A CASPT2 study

Chemical Physics Letters

Volumn 289, Issue 5-6, 1998, Pages 442-450

  Moriarty, Nigel W ^a,b   Lindh, Roland ^a   Karlström, Gunnar ^a  

^a CHEMICAL CENTER   (Sweden)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Biradical; CASPT2; MRCI; Stationary points; Tetramethylene

Indexed keywords

EID: 0032546682     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00452-7     Document Type: Article

References (15)

1. Pedersen S., Herek J.L., Zewail A.H. Science. 266:1994;1359-1364.
2. Polanyi J.C., Zewail A.H. Acc. Chem. Res. 28:1995;119-132.
3. Doubleday C. Jr. J. Am. Chem. Soc. 106:1984;447-448.
4. Doubleday C. Jr., Page M., McIver J.W. Jr. J. Mol. Struct. 163:1988;331-341.
5. Doubleday C. Jr. J. Am. Chem. Soc. 115:1993;11968-11983.
6. Doubleday C. Jr. Chem. Phys. Lett. 233:1995;509-513.
7. Doubleday C. Jr. J. Phys. Chem. 100:1996;15083-15086.
8. Lindh R., Persson B.J. J. Am. Chem. Soc. 116:1994;4963.
9. Lindh R., Lee T.J., Bernhardsson A., Persson B.J., Karlström G. J. Am. Chem. Soc. 117:1995;7186.
10. Lindh R., Schütz M. Chem. Phys. Lett. 258:1996;409.
11. Kozlowski P.M., Dupuis M., Davidson E.R. J. Am. Chem. Soc. 117:1995;774.
12. Andersson K., Roos B.O., Malmqvist P.-Å., Widmark P.-O. Chem. Phys. Lett. 230:1994;391.
13. i) .
14. Pierloot K., Dumez B., Widmark P.-O., Roos B.O. Theor. Chim. Acta. 90:1995;87.
15. K. Andersson, M.P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, J. Olsen, B.O. Roos, A.J. Sadlej, M.R.A. Blomberg, P.E.M. Siegbahn, V. Kellö, J. Noga, M. Urban, P.-O. Widmark, MOLCAS Version 3. Dep. Theor. Chem., Chem. Center, Univ. of Lund, P.O.B. 124, S-221 00 Lund, Sweden, 1994.