| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A study of the valence shell electronic structure of uracil and the methyluracils
|
Holland, D.M.P.
|
|
2008
|
353 |
1-3 |
p. 47-58
12 p.
|
artikel
|
| 2 |
Calculation of free-energy curves for the study of hydrolysis reactions in aqueous solution from ab initio potentials and molecular dynamics simulation
|
Tolosa Arroyo, S.
|
|
2008
|
353 |
1-3 |
p. 73-78
6 p.
|
artikel
|
| 3 |
Complexation of formaldoxime and acetaldoxime with nitrogen
|
Golec, Barbara
|
|
2008
|
353 |
1-3 |
p. 13-18
6 p.
|
artikel
|
| 4 |
Computational investigation of the adsorption and photocleavage of chlorobenzene on anatase TiO2 surfaces
|
Wahab, Hilal S.
|
|
2008
|
353 |
1-3 |
p. 93-103
11 p.
|
artikel
|
| 5 |
Determination of α e and ω e y e from potential energy functions for diatomic molecules
|
Varshni, Y.P.
|
|
2008
|
353 |
1-3 |
p. 32-36
5 p.
|
artikel
|
| 6 |
DFT study of a heterofullerene molecule containing fifty-eight carbon atoms and one sulphur atom
|
Liu, Feng-Ling
|
|
2008
|
353 |
1-3 |
p. 19-24
6 p.
|
artikel
|
| 7 |
Dynamics of energy transfer processes in oxalylfluoride–acetylene clusters
|
Makarov, Vladimir I.
|
|
2008
|
353 |
1-3 |
p. 1-12
12 p.
|
artikel
|
| 8 |
Electronic absorption spectrum of titanium dioxide in neon matrices
|
Garkusha, I.
|
|
2008
|
353 |
1-3 |
p. 115-118
4 p.
|
artikel
|
| 9 |
Erratum to “Theoretical study of long range electron transfer in phthalimide–peptide–methyl aminoacetate model molecules” [Chem. Phys. 322 (2006) 366]
|
Gao, Xiang
|
|
2008
|
353 |
1-3 |
p. 221-
1 p.
|
artikel
|
| 10 |
First-principles study of sulfur adsorption on Mo(110)
|
Zhou, Y.G.
|
|
2008
|
353 |
1-3 |
p. 109-114
6 p.
|
artikel
|
| 11 |
IFC
|
|
|
2008
|
353 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 12 |
Interactions between simple radicals and water
|
Crespo-Otero, Rachel
|
|
2008
|
353 |
1-3 |
p. 193-201
9 p.
|
artikel
|
| 13 |
Investigation on the photofragmentation of hydrogen chloride
|
Zhang, Dongfang
|
|
2008
|
353 |
1-3 |
p. 87-92
6 p.
|
artikel
|
| 14 |
Methane adsorption inside and outside pristine and N-doped single wall carbon nanotubes
|
Denis, Pablo A.
|
|
2008
|
353 |
1-3 |
p. 79-86
8 p.
|
artikel
|
| 15 |
Micro-Raman spectroscopy analysis of catalyst morphology for carbon nanotubes synthesis
|
Li, Zhongrui
|
|
2008
|
353 |
1-3 |
p. 25-31
7 p.
|
artikel
|
| 16 |
Modulation of energy levels, wave functions and dynamics of 2-D one electron quantum dots: Influence of size
|
Mandal, Parikshit
|
|
2008
|
353 |
1-3 |
p. 37-46
10 p.
|
artikel
|
| 17 |
Molecular dynamics in DTGS (ND3) by quasielastic and inelastic neutron scattering
|
Tripadus, V.
|
|
2008
|
353 |
1-3 |
p. 59-65
7 p.
|
artikel
|
| 18 |
Numerical studies concerning the efficiency of various techniques in time-independent surface hopping calculations
|
Huang, Xun
|
|
2008
|
353 |
1-3 |
p. 139-144
6 p.
|
artikel
|
| 19 |
Photoelectron spectroscopy of sulfur L levels in the SF5CF3 molecule
|
Kivimäki, A.
|
|
2008
|
353 |
1-3 |
p. 202-208
7 p.
|
artikel
|
| 20 |
Positivity preserving chemical Langevin equations
|
Wilkie, Joshua
|
|
2008
|
353 |
1-3 |
p. 132-138
7 p.
|
artikel
|
| 21 |
Solvation and electronic spectrum of Ni2+ ion in aqueous and ammonia solutions: A sequential Monte Carlo/TD-DFT study
|
Aguilar, Charles M.
|
|
2008
|
353 |
1-3 |
p. 66-72
7 p.
|
artikel
|
| 22 |
Stability of the three tetracoordinated dianions Ni ( CN ) 4 2 - , Cr ( SCN ) 4 2 - , and Cu ( N 3 ) 4 2 -
|
Drenck, Kasper
|
|
2008
|
353 |
1-3 |
p. 189-192
4 p.
|
artikel
|
| 23 |
Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan
|
Baraldi, Ivan
|
|
2008
|
353 |
1-3 |
p. 163-169
7 p.
|
artikel
|
| 24 |
Subject Index
|
|
|
2008
|
353 |
1-3 |
p. 222-226
5 p.
|
artikel
|
| 25 |
Terahertz study of trichloroanisole by time-domain spectroscopy
|
Hor, Yew Li
|
|
2008
|
353 |
1-3 |
p. 185-188
4 p.
|
artikel
|
| 26 |
The electronic structures and properties of transition metal-doped silicon nanoclusters: A density functional investigation
|
Bandyopadhyay, Debashis
|
|
2008
|
353 |
1-3 |
p. 170-176
7 p.
|
artikel
|
| 27 |
Theoretical investigation of the germanium arsenides
|
Prascher, Brian P.
|
|
2008
|
353 |
1-3 |
p. 209-220
12 p.
|
artikel
|
| 28 |
Theoretical study of structure and electronic properties of cyano-substituted pyrroles
|
Rimarčík, Ján
|
|
2008
|
353 |
1-3 |
p. 177-184
8 p.
|
artikel
|
| 29 |
Ultrafast laser excitation and rotational de-excitation of cis-stilbene
|
Dou, Yusheng
|
|
2008
|
353 |
1-3 |
p. 104-108
5 p.
|
artikel
|
| 30 |
Vibrational enhancement of H atom transfer near an enzyme active site: An inverse classical control study
|
Pflaumer, Adam R.
|
|
2008
|
353 |
1-3 |
p. 119-131
13 p.
|
artikel
|
| 31 |
VUV photophysics and dissociative photoionization of pyrimidine, purine, imidazole and benzimidazole in the 7–18eV photon energy range
|
Schwell, Martin
|
|
2008
|
353 |
1-3 |
p. 145-162
18 p.
|
artikel
|
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