An ab Initio Excursion on the Lowest 18 Electronic Surfaces of the NCl + NCl System: Some Insight into the Long-Range Self-Quenching Pathways of the First Excited State of NCl

American Chemical Society (ACS) - Tập 106 Số 36 - Trang 8453-8460 - 2002
Gregory S. Tschumper1, Michael C. Heaven1, Keiji Morokuma1
1Department of Chemistry and Biochemistry, University of Mississippi, University, Mississippi 38677-1848, and Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atltanta, Georgia 30322

Tóm tắt

Từ khóa


Tài liệu tham khảo

Bower, R. D.; Yang, T. T.J. Opt. Soc. Am. B:  Opt. Phys.1991,8, 1583.

Yang T. T., 1992, Opt. Lett., 17, 1803, 10.1364/OL.17.001803

Ray A., 1993, J. Phys. Chem., 97, 3475, 10.1021/j100116a005

Ray A. J., 1995, J. Phys. Chem., 99, 7849, 10.1021/j100020a002

Herbelin J. M., 1999, Chem. Phys. Lett., 299, 583, 10.1016/S0009-2614(98)01292-5

Henshaw T. L., 1997, J. Phys. Chem. A, 101, 4048, 10.1021/jp962745q

Henshaw T. L., 2000, Chem. Phys. Lett., 325, 537, 10.1016/S0009-2614(00)00687-4

Manke G. C., 1998, J. Phys. Chem. A, 102, 153, 10.1021/jp972118g

Manke G. C., 1998, J. Phys. Chem. A, 102, 7257, 10.1021/jp981603o

Hewett K. B., 2000, J. Phys. Chem. A, 104, 539, 10.1021/jp9921203

Huber K. P., 1979, Constants of Diatomic Molecules, 10.1007/978-1-4757-0961-2_2

Nordhoff K., 1999, J. Org. Chem., 64, 7485, 10.1021/jo990779z

Werner H.-J., 1985, J. Chem. Phys., 82, 5053, 10.1063/1.448627

Knowles P. J., 1985, Chem. Phys. Lett., 115, 259, 10.1016/0009-2614(85)80025-7

Busch T., 1991, J. Chem. Phys., 94, 6708, 10.1063/1.460247

Amos R. D., 2002, Werner and P. J. Knowles, version, 1, 2002

Dunn K., 1995, J. Chem. Phys., 102, 4904, 10.1063/1.469538

Cui Q., 1996, Chem. Phys. Lett., 263, 46, 10.1016/S0009-2614(96)01190-6