81 |
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Ab initio MO studies on the photodissociation of C~2H~2 from the S~1 (^1A~u) state. Non-adiabatic effects and S-T interaction
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Morokuma, K. Stanton, J. F. Cui, Q.
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North Holland
|
1996
|
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82 |
|
Ab initio MO studies on the photodissociation of the methoxy family CX~3Y (X = H, F; Y = O, S) from the A^2A~1 state
|
Morokuma, K. Cui, Q.
|
North Holland
|
1996
|
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83 |
|
Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage/
|
Schnell, Melanie
|
North Holland
|
2001
|
|
|
84 |
|
Ab initio MRD-CI study on the low-lying excited states of ClNO2/
|
Lesar, A
|
North Holland
|
2004
|
|
|
85 |
|
Ab initio MRSD-CI calculations of the ground and the two lowest-lying excited states of pyrene/
|
Bito, Yasumasa
|
North Holland
|
2000
|
|
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86 |
|
Ab initio MRSDCI calculations of the g-tensor components of [Cu(H~2O)~6]^2^+ complexes
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Tachikawa, H.
|
North Holland
|
1996
|
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87 |
|
Ab initio path integral study of isotope effect of hydronium ion
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Shiga, M
|
North Holland
|
2003
|
|
|
88 |
|
Ab initio polarizabilities of polyenic chains with conformational defects
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De Melo, C. P. Fonseca, T. L.
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North Holland
|
1996
|
|
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89 |
|
Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl^+
|
Kim, G.-S
|
North Holland
|
1997
|
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90 |
|
Ab initio potential energy surface and vibrational energies of Li^-~3
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Von Nagy-Felsobuki, E. I. McCourt, F. R. W. Wang, F.
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North Holland
|
1997
|
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91 |
|
Ab initio potential energy surface of Ne-OCS
|
Yan, G. Yang, M. Xie, D.
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North Holland
|
1997
|
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92 |
|
Ab initio potential energy surfaces for the large-amplitude motions of quasi-symmetric top molecules: CH~3NCS and SiH~3NCO
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Koput, J.
|
North Holland
|
1996
|
|
|
93 |
|
Ab initio potential functions for the ionic states of OH
|
Nemukhin, A. V. Grigorenko, B. L.
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North Holland
|
1997
|
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94 |
|
Ab initio propagator analysis of triple-charge-transfer spectra for carbon disulphide
|
Parry, D. E.
|
North Holland
|
1997
|
|
|
95 |
|
Ab initio quantum mechanical investigation of the photodissociation of HI and DI
|
Balakrishnan, N
|
North Holland
|
2001
|
|
|
96 |
|
Ab initio SCF and DFT models of met-car adducts: Ti~8C^1^2(L)~n (L = Cl,NH~3, CO, C~6H~6; n = 4, 8)
|
Rohmer, M.-M. Bo, C. Benard, M. Poblet, J.-M.
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North Holland
|
1996
|
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|
97 |
|
Ab initio studies of AgHe exciplex
|
Jakubek, Z. J
|
North Holland
|
1997
|
|
|
98 |
|
Ab initio studies of magnetism in strongly correlated electron systems
|
Kioussis, Nicholas
|
North-Holland
|
2001
|
|
|
99 |
|
Ab initio studies of the oxidation of methane with oxo-metal cations
|
Zahradnik, R. Roeselova, M. Nachtigallova, D.
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North Holland
|
1997
|
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|
100 |
|
Ab initio studies on photochemical reactions of Al atoms with H~2 molecules
|
Fang, W.-H.
|
North Holland
|
1996
|
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