101 |
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Ab initio calculations of the electronic structure of the silver palladium oxide Ag2PdO2/
|
Yu, L. H
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North-Holland
|
2003
|
|
|
102 |
|
Ab initio calculations of the transfer parameters and coulombic repulsion and estimation of their effects on the electron delocalization and magnetic coupling in mixed-valence Keggin polyoxotungstates/
|
Suaud, N
|
Pergamon Press
|
2003
|
|
|
103 |
|
Ab initio calculations of three-photon absorption
|
Cronstrand, P
|
North Holland
|
2003
|
|
|
104 |
|
Ab initio characterization of the xenon dihydride dimer - (HXeH)2
|
Lundell, J
|
North Holland
|
2003
|
|
|
105 |
|
Ab initio design on new push-pull sila- and germastilbene
|
Amatatsu, Y
|
North Holland
|
2003
|
|
|
106 |
|
Ab initio design on new push-pull sila- and germastilbene
|
Amatatsu, Y
|
North Holland
|
2003
|
|
|
107 |
|
Ab initio, DFT and transition state theory calculations on 1,2-HF, HCI and CIF elimination reactions from CH~2F-CH~2Cl/
|
Rajakumar, B
|
Royal Society of Chemistry
|
2003
|
|
|
108 |
|
Ab initio elasticity of chalcopyrites/
|
Lazewski, J
|
American Institute of Physics
|
2003
|
|
|
109 |
|
Ab initio investigations of the C2F4S isomers and of their interconversions/
|
Shim, I
|
Elsevier]
|
2003
|
|
|
110 |
|
Ab initio investigations on neutral hydrogen peroxide clusters: (H2O2)n (n=2-4)
|
Kulkarni, S. A
|
North Holland
|
2003
|
|
|
111 |
|
Ab initio lattice dynamics of metal surfaces
|
Heid, R
|
North-Holland Pub. Co
|
2003
|
|
|
112 |
|
Ab initio model study on a water molecule between graphite layers/
|
Ruuska, H
|
Pergamon Press
|
2003
|
|
|
113 |
|
Ab initio molecular dynamics simulations with a HOMO-LUMO gap biasing potential to accelerate rare reaction events/
|
Mosey, N. J
|
North Holland
|
2003
|
|
|
114 |
|
Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene/
|
Baeck, K. K
|
North Holland
|
2003
|
|
|
115 |
|
Ab initio oscillator strengths for transitions between J = 1 odd and J = 1,2 even excited states of Ne I (4 pages)/
|
Savukov, I. M
|
Published by the American Physical Society through the American Institute of Physics
|
2003
|
|
|
116 |
|
Ab initio path integral study of isotope effect of hydronium ion
|
Shiga, M
|
North Holland
|
2003
|
|
|
117 |
|
Ab initio predictions of ferroelectric ternary fluorides with the LiNbO~3 structure/
|
Claeyssens, F
|
Royal Society of Chemistry
|
2003
|
|
|
118 |
|
Ab initio shell model with a genuine three-nucleon force for the p-shell nuclei (13 pages)/
|
Navratil, P
|
Published for the American Physical Society by the American Institute of Physics
|
2003
|
|
|
119 |
|
Ab initio Simulations of Homoepitaxial SiC Growth/
|
Righi, M. C
|
American Physical Society
|
2003
|
|
|
120 |
|
Ab initio study of 3C inclusions and stacking fault-stacking fault interactions in 6H-SiC/
|
Iwata, H. P
|
American Institute of Physics
|
2003
|
|
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