| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics study on the hydrolysis of molecular chlorine
|
Liu, Z.F.
|
|
1999
|
311 |
1-2 |
p. 93-101
9 p.
|
artikel
|
| 2 |
Ab initio study of B32 clusters: competition between spherical, quasiplanar and tubular isomers
|
Boustani, Ihsan
|
|
1999
|
311 |
1-2 |
p. 21-28
8 p.
|
artikel
|
| 3 |
Angular-resolved XANES measurements of the polar and azimuthal orientation of alkanethiols on InP(110)
|
Zerulla, D
|
|
1999
|
311 |
1-2 |
p. 8-12
5 p.
|
artikel
|
| 4 |
Application of the DFT-based embedding scheme using an explicit functional of the kinetic energy to determine the spin density of Mg+ embedded in Ne and Ar matrices
|
Wesołowski, Tomasz Adam
|
|
1999
|
311 |
1-2 |
p. 87-92
6 p.
|
artikel
|
| 5 |
Cation–π interaction with transition-metal complex as cation
|
Zarić, Snežana D
|
|
1999
|
311 |
1-2 |
p. 77-80
4 p.
|
artikel
|
| 6 |
Clustering behaviour in bimetallic clusters: a density functional theory based molecular dynamics study
|
Majumder, C
|
|
1999
|
311 |
1-2 |
p. 62-68
7 p.
|
artikel
|
| 7 |
Detection and spectroscopy of single molecules in rare gas matrices: dibenzanthanthrene in krypton and xenon
|
Sepioł, Jerzy
|
|
1999
|
311 |
1-2 |
p. 29-35
7 p.
|
artikel
|
| 8 |
Discussion
|
|
|
1999
|
311 |
1-2 |
p. 102-104
3 p.
|
artikel
|
| 9 |
Discussion
|
|
|
1999
|
311 |
1-2 |
p. 105-107
3 p.
|
artikel
|
| 10 |
Excited state intramolecular proton transfer in 2-(2′-benzamidophenyl)benzimidazole: effect of solvents
|
Santra, Swadeshmukul
|
|
1999
|
311 |
1-2 |
p. 55-61
7 p.
|
artikel
|
| 11 |
Infrared spectroscopy and 266 nm photolysis of H2S2 in solid Ar
|
Isoniemi, Esa
|
|
1999
|
311 |
1-2 |
p. 47-54
8 p.
|
artikel
|
| 12 |
Investigations on the grating dynamics in a fast photorefractive guest–host polymer
|
Hofmann, U.
|
|
1999
|
311 |
1-2 |
p. 41-46
6 p.
|
artikel
|
| 13 |
On the evaluation of molecular dipole moments from multipole refinement of X-ray diffraction data
|
Abramov, Yu.A
|
|
1999
|
311 |
1-2 |
p. 81-86
6 p.
|
artikel
|
| 14 |
Performance of a new hybrid Hartree–Fock/Kohn–Sham model (B98) in predicting vibrational frequencies, polarisabilities and NMR chemical shifts
|
Bienati, Massimiliano
|
|
1999
|
311 |
1-2 |
p. 69-76
8 p.
|
artikel
|
| 15 |
Rotational effects in the dissociation of H2 on metal surfaces studied by ab initio quantum-dynamics calculations
|
Eichler, Andreas
|
|
1999
|
311 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 16 |
Vibrational energy transfer of chemisorbed ethyltrichlorosilane at the glass/air interface
|
Saß, M.
|
|
1999
|
311 |
1-2 |
p. 13-20
8 p.
|
artikel
|
| 17 |
Visible vibronic emission spectrum of the jet-cooled pentafluorobenzyl radical
|
Lee, Sang Kuk
|
|
1999
|
311 |
1-2 |
p. 36-40
5 p.
|
artikel
|
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