Probing the accuracy of the isomerization energy of the 3-D morphed potential of Ar–HBr

Chemical Physics Letters - Tập 460 - Trang 525-530 - 2008
F.F. Willaert1, B.A. McElmurry1, R.R. Lucchese1, J.W. Bevan1
1Chemistry Department, Texas A&M University, College Station, TX 77843-3255, United States

Tài liệu tham khảo

McIntosh, 1999, J. Chem. Phys., 111, 5764, 10.1063/1.479873 Meuwly, 1999, J. Chem. Phys., 110, 8338, 10.1063/1.478744 Belov, 2003, Chem. Phys. Lett., 370, 528, 10.1016/S0009-2614(03)00117-9 Castillo-Chara, 2001, J. Chem. Phys., 115, 899, 10.1063/1.1379337 McElmurry, 2003, J. Chem. Phys., 119, 10687, 10.1063/1.1621623 Wang, 2005, J. Phys. Chem. A, 109, 8168, 10.1021/jp0521104 Han, 1997, Chem. Phys. Lett., 265, 209, 10.1016/S0009-2614(96)01420-0 Jabs, 2007, J. Phys. Chem. A, 111, 11976, 10.1021/jp0744275 McElmurry, 2005, Chem. Phys. Lett., 407, 40, 10.1016/j.cplett.2005.02.093 Rivera-Rivera, 2006, Chem. Phys. Lett., 429, 68, 10.1016/j.cplett.2006.08.033 Andzelm, 1985, Chem. Phys., 100, 1, 10.1016/0301-0104(85)87018-X Hutson, 1989, J. Chem. Phys., 91, 4455, 10.1063/1.456782 Higgins, 2005, J. Chem. Phys., 122, 10.1063/1.1940633 Lepetit, 2002, J. Chem. Phys., 117, 8676, 10.1063/1.1514213 Lopez-Lopez, 2004, J. Chem. Phys., 120, 660, 10.1063/1.1631251 Monnerville, 1998, Chem. Phys. Lett., 294, 473, 10.1016/S0009-2614(98)00891-4 Prosmiti, 2002, Chem. Phys. Lett., 366, 238, 10.1016/S0009-2614(02)01589-0 Prosmiti, 2002, J. Chem. Phys., 117, 100, 10.1063/1.1480866 Trin, 2003, J. Chem. Phys., 118, 600, 10.1063/1.1523013 Wang, 2004, J. Phys. Chem. A, 108, 2884, 10.1021/jp036603p Bevan, 1993, Chem. Phys. Lett., 204, 551, 10.1016/0009-2614(93)89202-S Bevan, 1992, Chem. Phys. Lett., 198, 347, 10.1016/0009-2614(92)85063-G Arunan, 2004, Appl. Spect. Rev., 39, 131, 10.1081/ASR-120030906 Boys, 1970, Mol. Phys., 19, 553, 10.1080/00268977000101561 Hulburt, 1941, J. Chem. Phys., 9, 61, 10.1063/1.1750827 Rank, 1965, J. Mol. Spectrosc., 18, 170, 10.1016/0022-2852(65)90073-1 Huber, 1979 Press, 1986 Keenan, 1980, J. Chem. Phys., 72, 3070, 10.1063/1.439510 Pickett, 1991, J. Mol. Spectrosc., 148, 371, 10.1016/0022-2852(91)90393-O McElmurry, 2004, Phys. Chem. Chem. Phys., 6, 5318, 10.1039/b410579f