121 |
|
Ab initio study of solvent kinetic isotope effects in microhydrated S~N2reactions
|
Okuno, Y
|
North Holland
|
1997
|
|
|
122 |
|
Ab initio study of the decomposition of formaldehyde
|
Yu, C.-H. Yu, J.-S. K.
|
North Holland
|
1997
|
|
|
123 |
|
Ab initio study of the electronic spectrum of the PO~2 radical
|
Hirsch, G. Cai, Z.-L. Buenker, R. J.
|
North Holland
|
1996
|
|
|
124 |
|
Ab initio study of the energetics and thermodynamics of hydrogen abstraction from fluoromethanes by O(3P). II: CFnH4-n+O(3P)→CFnH4-n.O→&z.rad;CFnH3-n+&z.radOH (n=0,1,2)/
|
Kreye, W C
|
North Holland
|
2001
|
|
|
125 |
|
Ab-initio study of the energetics and thermodynamics of the reaction CF~3H + O(^3P) > CF~3H 桁�O -> CF~3 + OH
|
Kreye, W. C.
|
North Holland
|
1996
|
|
|
126 |
|
Ab initio study of the energy hypersurface of uneven sulfuranes. Dissociation of HCl from Cl-SH (OH)-Cl
|
Lops, M. Csizmadia, I. G. Csonka, G. I. Kucsman, A.
|
North Holland
|
1994
|
|
|
127 |
|
Ab initio study of the ground and several excited states of the NLi system
|
Matsika, S. Papakondylis, A. Mavridis, A.
|
North Holland
|
1996
|
|
|
128 |
|
Ab initio study of the ground state and the first excited state of the rectangular (D2h)N4 molecule/
|
Bittererov�, Martina
|
North Holland
|
2001
|
|
|
129 |
|
Ab initio study of the influence of conformation on partial charge distribution of dioctadecylamine/
|
Huetz, P
|
North Holland
|
2003
|
|
|
130 |
|
Ab initio study of the structural and electronic properties of the complex structures of RuO2/
|
Benyahia, K
|
North-Holland
|
2003
|
|
|
131 |
|
Ab initio study of the X ^2�+ and A ^2cap pi states of the SiN radical
|
Martin, J. M. L. Francois, J. P. Gijbels, R. Cai, Z.-L.
|
North Holland
|
1996
|
|
|
132 |
|
Ab initio study of water hexamer anions
|
Lee, S. J. Lee, J. Y. Kim, J. Lee, S.
|
North Holland
|
1996
|
|
|
133 |
|
Ab initio study on Mo~2C~8 cluster
|
Ge, M
|
North Holland
|
1997
|
|
|
134 |
|
Ab initio study on the dissociation pathways of XSO~2 (X = Cl, F) radicals
|
Li, Z.
|
North Holland
|
1997
|
|
|
135 |
|
Ab initio study on the electronic structures of styrene at the conical intersection/
|
Amatatsu, Yoshiaki
|
North Holland
|
2001
|
|
|
136 |
|
Ab initio study on the potential energy hypersurface of FC(O)O^+
|
Francisco, J. S.
|
North Holland
|
1997
|
|
|
137 |
|
Ab initio study on the potential energy surface and geometric isomers of the HBr-N2O (1:1) cluster/
|
Okano, A
|
North Holland
|
2001
|
|
|
138 |
|
Ab initio study on the reaction 2NH(X^3�-) -> NH~2(X^2B~1) + N(^4S)
|
Fang, D.-C. Xu, Z.-F. Fu, X.-Y.
|
North Holland
|
1997
|
|
|
139 |
|
Ab initio study on the structures of Th(IV) hydrate and its hydrolysis products in aqueous solution/
|
Tsushima, S
|
North Holland
|
2003
|
|
|
140 |
|
Ab initio study on the thermochemistry of diphosphine (P~2H~4) and diphosphine radical cation (P~2H^+~4)
|
Glukhovtsev, M. N. Bach, R. D.
|
North Holland
|
1997
|
|
|