101 |
|
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
|
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|
102 |
|
Ab initio studies on the structures and isomerization of the carbenoids CH~2LiX (X = F, Cl)
|
Deng, C. Qiu, H.
|
North Holland
|
1996
|
|
|
103 |
|
Ab initio study of absorption and emission spectra of PM567
|
Acebal, P
|
North Holland
|
2003
|
|
|
104 |
|
Ab initio study of AgNH~3 and its cation
|
Radloff, W. Ritze, H.-H.
|
North Holland
|
1996
|
|
|
105 |
|
Ab initio study of ammonia adsorption states on an ice surface I: structures, adsorption energies and linear dependences on coverage ratio/
|
Hara, Y
|
North Holland
|
2001
|
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|
106 |
|
Ab initio study of C~2~0 isomers: geometry and vibrational frequencies
|
Day, P. Wang, Z. Pachter, R.
|
North Holland
|
1996
|
|
|
107 |
|
Ab initio study of C~4O~4 in T~d symmetry
|
Evangelisti, S.
|
North Holland
|
1996
|
|
|
108 |
|
Ab initio study of C~9 and LaC^+~9 clusters
|
Wu, Z. J. Zhang, S. Y. Meng, Q. B.
|
North Holland
|
1997
|
|
|
109 |
|
Ab initio study of CO2-ccirfCO2C2O4- isomerization
|
Saeki, Morihisa
|
North Holland
|
2001
|
|
|
110 |
|
Ab initio study of collisions between Li and C~6~0
|
Aree, T. Hannongbua, S.
|
North Holland
|
1997
|
|
|
111 |
|
Ab initio study of energies, structures and vibrational spectra of the complexes of water with carbon oxysulfide and nitrous oxide/
|
W�cik, Marek J
|
North Holland
|
2001
|
|
|
112 |
|
Ab initio study of energy-level alignments in polymer-dye blends
|
Pasveer, W. F
|
North Holland
|
2003
|
|
|
113 |
|
Ab initio study of hydride abstraction reaction in the Mg+-NH2CH3 complex
|
Guo, W
|
North Holland
|
2003
|
|
|
114 |
|
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
|
|
|
115 |
|
Ab initio study of isomers of neutral and ionized van der Waals dimer (CH3I)2
|
Bogdanchikov, G. A
|
North Holland
|
2003
|
|
|
116 |
|
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
|
|
|
117 |
|
Ab initio study of nonadiabatic coupling matrix elements between excited 22A' and 32A' electronic states of C2H/
|
Mebel, Alexander M
|
North Holland
|
2001
|
|
|
118 |
|
Ab initio study of oxygen vacancies in �quartz
|
Carbonaro, C. M
|
North-Holland
|
1980
|
|
|
119 |
|
Ab initio study of rearrangements between C60 fullerenes
|
Kumeda, Y
|
North Holland
|
2003
|
|
|
120 |
|
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
|
|
|