Hydrogen exchange and abstraction in the H + CH4 system as calculated by the CNDO/2 method

Chemical Physics Letters - Tập 9 - Trang 351-355 - 1971
R.E. Weston1, S. Ehrenson1
1Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973, USA

Tài liệu tham khảo

Walker, 1968, J. Chem. Soc., 2391A, 10.1039/j19680002391 Kurylo, 1969, J. Chem. Phys., 50, 5076, 10.1063/1.1671021 Chou, 1969, J. Chem. Phys., 50, 5133, 10.1063/1.1671028 J. Shapiro and R.E. Weston, unpublished data Wolfgang, 1969, Accounts Chem. Res., 2, 248, 10.1021/ar50020a004 Bunker, 1969, Chem. Phys. Letters, 4, 315, 10.1016/0009-2614(69)80195-8 Bunker, 1970, J. Chem. Phys., 53, 3041, 10.1063/1.1674447 Kuntz, 1970, J. Chem. Phys., 52, 4654, 10.1063/1.1673698 Gorin, 1939, J. Chem. Phys., 7, 633, 10.1063/1.1750507 Kaufmann, 1967, Intern. J. Quantum Chem., 1s, 261 Hartmann, 1960, Z. Physik. Chem., 23, 139, 10.1524/zpch.1960.23.1_2.139 Pople, 1965, J. Chem. Phys., 43, S129, 10.1063/1.1701475 Pople, 1965, J. Chem. Phys., 43, 5136 Pople, 1966, J. Chem. Phys., 44, 3289, 10.1063/1.1727227 Pople, 1967, J. Chem. Phys., 47, 2026, 10.1063/1.1712233 Wilberg, 1968, J. Am. Chem. Soc., 90, 59, 10.1021/ja01003a012 Gamba, 1969, Chem. Phys. Letters, 3, 20, 10.1016/0009-2614(69)80007-2 Kollmar, 1970, Chem. Phys. Letters, 5, 7, 10.1016/0009-2614(70)80114-2 Olah, 1969, J. Am. Chem. Soc., 91, 3261, 10.1021/ja01040a029 Dyczmons, 1970, Chem. Phys. Letters, 5, 361, 10.1016/0009-2614(70)85167-3 Ehrenson, 1969, Chem. Phys. Letters, 3, 585, 10.1016/0009-2614(69)85116-X Gole, 1969, Chem. Phys. Letters, 3, 577, 10.1016/0009-2614(69)85113-4 Gole, 1969, Chem. Phys. Letters, 4, 408, 10.1016/0009-2614(69)80276-9 Mulder, 1970, Chem. Phys. Letters, 5, 445, 10.1016/0009-2614(70)85103-X Yonezawa, 1968, J. Am. Chem. Soc., 90, 1239, 10.1021/ja01007a023 van der Lugt, 1970, Chem. Phys. Letters, 4, 389, 10.1016/0009-2614(69)80271-X Allinger, 1969, J. Am. Chem. Soc., 92, 1819 Ritchie, 1969, J. Am. Chem. Soc., 92, 1819, 10.1021/ja00710a002 Ransil, 1960, Rev. Mod. Phys., 32, 239, 10.1103/RevModPhys.32.239 M.D. Newton, private communication Westheimer, 1968, Accounts Chem. Res., 1, 70, 10.1021/ar50003a002