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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 5-7: A Special Issue in Honour of Professor Michael Albert Robb
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Original Articles

Theoretical study of the formation and isomerization of Al2H2

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Pages 751-762 | Received 01 Mar 2005, Accepted 12 Apr 2005, Published online: 21 Feb 2007

References

  • Parnis , JM and Ozin , GA . 1989 . J. Chem. Phys. , 93 : 1215
  • Downs , AJ , Goode , MJ and Pulham , CR . 1989 . J. Am. Chem. Soc. , 111 : 1936
  • Pulham , CR , Downs , AJ , Goode , MJ , Rankin , DWH and Robertson , HE . 1991 . J. Am. Chem. Soc. , 113 : 5149
  • Taylor , MJ and Brothers , PJ . 1993 . Chemistry of Aluminum, Gallium, Indium and Thallium , Edited by: Downs , AJ . 111 Glasgow, , UK : Blackie .
  • Kurth , FA , Eberlein , RA , Schnockel , H , Downs , AJ and Pulham , CR . 1993 . J. Chem. Soc. , 16 : 1302
  • Chertihin , GV and Andrews , L . 1993 . J. Phys. Chem. , 97 : 10295
  • White , JB , Dulick , M and Bernath , PF . 1993 . J. Chem. Phys. , 99 : 8371
  • Hedderich , HG , Dulick , M and Bernath , PF . 1993 . J. Chem. Phys. , 99 : 8363
  • Xiao , ZL , Hauge , RH and Margrave , JL . 1993 . Inorg. Chem. , 32 : 642
  • Downs , AJ and Pulham , CR . 1994 . Adv. Inorg. Chem. , 41 : 171
  • Downs , AJ and Pulham , CR . 1994 . Chem. Soc. Rev. , 23 : 175
  • Pullumbi , P , Boutellier , Y and Manceron , L . 1994 . J. Chem. Phys. , 101 : 3610
  • Pullumbi , P , Mijoule , C , Manceron , L and Boutellier , Y . 1994 . Chem. Phys. , 185 : 13
  • Pullumbi , P , Boutellier , Y , Manceron , L and Mijoule , C . 1994 . Chem. Phys. , 185 : 25
  • Downs , AJ . 1999 . Coord. Chem. Rev. , 189 : 59
  • Aldridge , S and Downs , AJ . 2001 . J. Chem. Rev. , 101 : 3305
  • Himmel , H-J , Manceron , L , Downs , AJ and Pullumbi , P . 2002 . J. Am. Chem. Soc. , 124 : 4448
  • Wang , X , Andrews , L , Tam , S , DeRose , ME and Fajardo , ME . 2003 . J. Am. Chem. Soc. , 125 : 9218
  • Andrews , L and Wang , X . 2004 . J. Phys. Chem. A , 108 : 4202
  • Liang , C , Davy , RD and Schaefer , HF . 1989 . Chem. Phys. Lett. , 159 : 393
  • Duke , BJ , Liang , C and Schaefer , HF . 1991 . J. Am. Chem. Soc. , 113 : 2884
  • Shen , M and Schaefer , HF . 1992 . J. Chem. Phys. , 96 : 2868
  • Palágyi , Z , Grev , RS and Schaefer , HF . 1993 . J. Am. Chem. Soc. , 115 : 1936
  • Treboux , G and Barthelat , J-C . 1993 . J. Am. Chem. Soc. , 115 : 4870
  • Yamaguchi , Y , DeLeeuw , BJ , Richards , CA Jr. , Schaefer , HF and Frenking , G . 1994 . J. Am. Chem. Soc. , 116 : 11922
  • Stephens , JC , Bolton , EE , Schaefer , HF and Andrews , L . 1994 . J. Chem. Phys. , 107 : 119
  • Jursic , BS . 1998 . J. Molec. Struct. (Theochem) , 453 : 123
  • Rao , BK , Jena , P , Burkart , S , Ganteför , G and Seifert , G . 2001 . Phys. Rev. Lett. , 86 : 692
  • Kawamura , H , Kumar , V , Sun , Q and Kawazoe , Y . 2001 . Phys. Rev. B , 65 : 045406
  • Cotton , FA , Wilkinson , G , Murillo , CA and Bockmann , M . 1999 . Advanced Inorganic Chemistry, , 6th ed. , New York : Wiley .
  • Zeeman , PB . 1954 . Can. J. Phys. , 32 : 9
  • Ginter , DS , Ginter , ML and Innes , KK . 1963 . Astrophys. J. , 139 : 365
  • Douglas , MA , Hauge , RH and Margrave , JL . 1983 . J. Phys. Chem. , 87 : 2945
  • Cai , MF , Dzugan , TP and Bondybey , VE . 1989 . Chem. Phys. Lett. , 155 : 430
  • Basch , H , Stevens , WJ and Krauss , M . 1984 . Chem. Phys. Lett. , 109 : 212
  • Upton , TH . 1986 . J. Phys. Chem. , 90 : 754
  • Bauschlicher , CW , Partridge , H , Langhoff , SR , Taylor , PR and Walch , SP . 1987 . J. Chem. Phys. , 86 : 7007
  • Bauschlicher , CW and Langhoff , SR . 1989 . J. Chem. Phys. , 90 : 4627
  • Sunil , KK and Jordan , KD . 1988 . J. Phys. Chem. , 92 : 2774
  • Langhoff , SR and Bauschlicher , CW . 1990 . J. Chem. Phys. , 92 : 1879
  • Grev , RS and Schaefer , HF . 1989 . J. Chem. Phys. , 91 : 7305
  • Gonzales , C and Schlegel , HB . 1989 . J. Chem. Phys. , 90 : 2154
  • Nakano , H . 1993 . J. Chem. Phys. , 99 : 7983
  • Hirao , K . 1992 . Chem. Phys. Lett. , 190 : 374
  • Schmidt , MW , Baldridge , KK , Boatz , JA , Elbert , ST , Gordon , MS , Jensen , JH , Koseki , S , Matsunaga , N , Nguyen , KA , Su , SJ , Windus , TL , Dupuis , M and Montgomery , JA Jr. 1993 . J. comput. Chem. , 14 : 1347
  • MOLPRO, a package of ab initio programs designed by H.-J. Werner, P. J. Knowles, version 2000 R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner
  • Hampel , C , Peterson , K and Werner , H-J . 1992 . Phys. Lett. , 190 : 1 and references therein
  • Deegan , MJO and Knowles , PJ . 1994 . Chem. Phys. Lett. , 227 : 321
  • Knowles , PJ , Hampel , C and Werner , H-J . 1993 . J. Chem. Phys. , 99 : 5219
  • Kowalski , K and Piecuch , P . 2004 . J. Chem. Phys. , 120 : 1715
  • Kowalski , K , Piecuch , P , Wloch , M , Kucharski , SA , Musial , M and Schmidt , MW . in preparation
  • Piecuch , P , Kucharski , SA , Kowalski , K and Musial , M . 2002 . Comp. Phys. Commun. , 149 : 71
  • Since single-reference methods are not able to properly describe degenerate states (e.g., 1Δg state of Al2), supermolecule calculations were performed on such systems. The presence of the H2 fragment in the CR-CCSD(T) calculations and degenerate dissociation limit calculations at the CCSD(T) level removed exact degeneracies. In these cases, SCF orbitals were analysed to ensure the proper reference functions were being described
  • Huber , KP and Herzberg , G . 1979 . Constants of Diatomic Molecules , New York : Van Nostrand .

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