nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('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. |
artikel |
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. |
artikel |
3 |
Adsorption of small molecules on metal oxides
|
Nygren, Martin A. |
|
1994 |
69 |
1 |
p. 43-53 11 p. |
artikel |
4 |
A theoretical study of the adsorption dynamics of hydrogen on Ni(111) surface
|
Bourcet, Alberto |
|
1994 |
69 |
1 |
p. 55-64 10 p. |
artikel |
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. |
artikel |
6 |
Density functional approach to moderately large cluster embedding for infinite metal substrates
|
Krüger, S. |
|
1994 |
69 |
1 |
p. 31-42 12 p. |
artikel |
7 |
Editorial Board
|
|
|
1994 |
69 |
1 |
p. iii- 1 p. |
artikel |
8 |
Embedded-cluster and super-cell treatment of charged defects in crystals
|
Pisani, C. |
|
1994 |
69 |
1 |
p. 1-12 12 p. |
artikel |
9 |
Inner and valence shell photoelectron spectra calculated by the density functional method
|
Pedocchi, L. |
|
1994 |
69 |
1 |
p. 81-87 7 p. |
artikel |
10 |
Preface
|
Bagus, Paul S. |
|
1994 |
69 |
1 |
p. vii- 1 p. |
artikel |
11 |
Reaction of CH4 and CH3F with Si(111)
|
Yang, Hong |
|
1994 |
69 |
1 |
p. 23-29 7 p. |
artikel |
12 |
The lower excited states of a Cu+ impurity in NaF: localized or not?
|
Broer, R. |
|
1994 |
69 |
1 |
p. 73-79 7 p. |
artikel |
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. |
artikel |