| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio and semiempirical cluster studies on the reactivity of the vanadium pentoxide (010) surface
|
Witko, Małgorzata
|
|
1994
|
69 |
1 |
p. 89-98
10 p.
|
article
|
| 2 |
Ab initio calculations for the adsorption of small molecules on metal oxide surfaces. Part 3. Adsorption of H and CH3 radicals on NiO(100)
|
Freitag, Jürgen
|
|
1994
|
69 |
1 |
p. 99-109
11 p.
|
article
|
| 3 |
Adsorption of small molecules on metal oxides
|
Nygren, Martin A.
|
|
1994
|
69 |
1 |
p. 43-53
11 p.
|
article
|
| 4 |
A theoretical study of the adsorption dynamics of hydrogen on Ni(111) surface
|
Bourcet, Alberto
|
|
1994
|
69 |
1 |
p. 55-64
10 p.
|
article
|
| 5 |
CO adsorption on the (001) surface of MgO: a comparison of Hartree-Fock and local density functional results
|
Pacchionia, Gianfranco
|
|
1994
|
69 |
1 |
p. 13-21
9 p.
|
article
|
| 6 |
Density functional approach to moderately large cluster embedding for infinite metal substrates
|
Krüger, S.
|
|
1994
|
69 |
1 |
p. 31-42
12 p.
|
article
|
| 7 |
Editorial Board
|
|
|
1994
|
69 |
1 |
p. iii-
1 p.
|
article
|
| 8 |
Embedded-cluster and super-cell treatment of charged defects in crystals
|
Pisani, C.
|
|
1994
|
69 |
1 |
p. 1-12
12 p.
|
article
|
| 9 |
Inner and valence shell photoelectron spectra calculated by the density functional method
|
Pedocchi, L.
|
|
1994
|
69 |
1 |
p. 81-87
7 p.
|
article
|
| 10 |
Preface
|
Bagus, Paul S.
|
|
1994
|
69 |
1 |
p. vii-
1 p.
|
article
|
| 11 |
Reaction of CH4 and CH3F with Si(111)
|
Yang, Hong
|
|
1994
|
69 |
1 |
p. 23-29
7 p.
|
article
|
| 12 |
The lower excited states of a Cu+ impurity in NaF: localized or not?
|
Broer, R.
|
|
1994
|
69 |
1 |
p. 73-79
7 p.
|
article
|
| 13 |
Valence bond reading of ab initio molecular orbital cluster model wavefunctions: the nature of chemical bond in corundum
|
Clotet, A.
|
|
1994
|
69 |
1 |
p. 65-71
7 p.
|
article
|
Journal description