| 21 |
|
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
|
Morokuma, K. Stanton, J. F. Cui, Q.
|
North Holland
|
1996
|
|
|
|
| 22 |
|
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
|
|
|
|
| 23 |
|
Ab initio MRSDCI calculations of the g-tensor components of [Cu(H~2O)~6]^2^+ complexes
|
Tachikawa, H.
|
North Holland
|
1996
|
|
|
|
| 24 |
|
Ab initio polarizabilities of polyenic chains with conformational defects
|
De Melo, C. P. Fonseca, T. L.
|
North Holland
|
1996
|
|
|
|
| 25 |
|
Ab initio potential energy surfaces for the large-amplitude motions of quasi-symmetric top molecules: CH~3NCS and SiH~3NCO
|
Koput, J.
|
North Holland
|
1996
|
|
|
|
| 26 |
|
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.
|
North Holland
|
1996
|
|
|
|
| 27 |
|
Ab initio studies on photochemical reactions of Al atoms with H~2 molecules
|
Fang, W.-H.
|
North Holland
|
1996
|
|
|
|
| 28 |
|
Ab initio studies on the mechanism of the cycloaddition reaction betweenketene imine and formaldehyde - catalytic and solvent effects
|
Fang, D.-C. Fu, X.-Y.
|
North Holland
|
1996
|
|
|
|
| 29 |
|
Ab initio studies on the structures and isomerization of the carbenoids CH~2LiX (X = F, Cl)
|
Deng, C. Qiu, H.
|
North Holland
|
1996
|
|
|
|
| 30 |
|
Ab initio study of AgNH~3 and its cation
|
Radloff, W. Ritze, H.-H.
|
North Holland
|
1996
|
|
|
|
| 31 |
|
Ab initio study of C~2~0 isomers: geometry and vibrational frequencies
|
Day, P. Wang, Z. Pachter, R.
|
North Holland
|
1996
|
|
|
|
| 32 |
|
Ab initio study of C~4O~4 in T~d symmetry
|
Evangelisti, S.
|
North Holland
|
1996
|
|
|
|
| 33 |
|
Ab initio study of hyperconjugation effects on charge distribution in representative polycyclic alcohols
|
Taft, C. A. Lie, S. K. Tostes, J. G. R. Seidl, P. R.
|
North Holland
|
1996
|
|
|
|
| 34 |
|
Ab initio study of luminescent chalcogenido silver(I) clusters [Ag~4(�H~2PCH~2PH~2)~4(�4-E)]^2^+
|
Wang, C.-R. Lo, K. K.-W. Yam, V. W.-W.
|
North Holland
|
1996
|
|
|
|
| 35 |
|
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
|
Barone, V. Cossi, M. Cammi, R. Tomasi, J.
|
North Holland
|
1996
|
|
|
|
| 36 |
|
Ab initio study of the electronic spectrum of the PO~2 radical
|
Hirsch, G. Cai, Z.-L. Buenker, R. J.
|
North Holland
|
1996
|
|
|
|
| 37 |
|
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
|
|
|
|
| 38 |
|
Ab initio study of the ground and several excited states of the NLi system
|
Matsika, S. Papakondylis, A. Mavridis, A.
|
North Holland
|
1996
|
|
|
|
| 39 |
|
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
|
|
|
|
| 40 |
|
Ab initio study of water hexamer anions
|
Lee, S. J. Lee, J. Y. Kim, J. Lee, S.
|
North Holland
|
1996
|
|
|
|
기사
(158)
