| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with 1,2-butadiene
|
Jamal, Adeel
|
|
2011
|
518 |
C |
p. 29-37
9 p.
|
artikel
|
| 2 |
A theoretical investigation of the diatomic dication SeO2+ in the gas phase
|
Ghalila, H.
|
|
2011
|
518 |
C |
p. 21-28
8 p.
|
artikel
|
| 3 |
Calculating relative transition rates with driven nonequilibrium simulations
|
Moradi, Mahmoud
|
|
2011
|
518 |
C |
p. 109-113
5 p.
|
artikel
|
| 4 |
Contents
|
|
|
2011
|
518 |
C |
p. iii-viii
nvt p.
|
artikel
|
| 5 |
Distinct exciton migration pathways induced by steric hindrance in Langmuir–Blodgett films of two novel cruciform molecular wires
|
Xu, Zhu-Guo
|
|
2011
|
518 |
C |
p. 65-69
5 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2011
|
518 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Energy transfer to xanthene dyes in dansylated POPAM dendrimers
|
Aumanen, Jukka
|
|
2011
|
518 |
C |
p. 87-92
6 p.
|
artikel
|
| 8 |
Exploration of magnetism in armchair graphene nanoribbons with radical groups
|
Pan, Yanfei
|
|
2011
|
518 |
C |
p. 104-108
5 p.
|
artikel
|
| 9 |
Frozen density embedding calculations with the orbital-dependent localized Hartree–Fock Kohn–Sham potential
|
Laricchia, S.
|
|
2011
|
518 |
C |
p. 114-118
5 p.
|
artikel
|
| 10 |
Ground state proton dynamics in stable phases of water
|
Andreani, C.
|
|
2011
|
518 |
C |
p. 1-6
6 p.
|
artikel
|
| 11 |
High-throughput thickness determination of n-layer graphenes via gold deposition
|
Zhou, Hai-qing
|
|
2011
|
518 |
C |
p. 76-80
5 p.
|
artikel
|
| 12 |
Large ternary hydrogen-bonded pre-nucleation clusters in the Earth’s atmosphere
|
Herb, Jason
|
|
2011
|
518 |
C |
p. 7-14
8 p.
|
artikel
|
| 13 |
MD simulations of the Soret effect in simple partially miscible binary biphasic mixtures
|
Maier, Holger A.
|
|
2011
|
518 |
C |
p. 55-60
6 p.
|
artikel
|
| 14 |
Molecular double core–hole electron spectroscopy of large molecules for probing molecular size: A series of bridged trihalosilyl–trimethylsilyl molecules
|
Takahashi, Osamu
|
|
2011
|
518 |
C |
p. 44-48
5 p.
|
artikel
|
| 15 |
Nuclear inelastic scattering spectroscopy of tris(acetylacetonate)iron(III); A vibrational probe via the iron atom
|
Jayasooriya, Upali A.
|
|
2011
|
518 |
C |
p. 119-123
5 p.
|
artikel
|
| 16 |
Oxidation of tin clusters: A first principles study
|
Sahoo, Suman Kalyan
|
|
2011
|
518 |
C |
p. 70-75
6 p.
|
artikel
|
| 17 |
Predicting the adsorption behavior in bulk from metal clusters
|
Mpourmpakis, Giannis
|
|
2011
|
518 |
C |
p. 99-103
5 p.
|
artikel
|
| 18 |
Protonation effect on the electronic structure of small PAHs: Acenaphthylene and Acenaphthene
|
Omidyan, Reza
|
|
2011
|
518 |
C |
p. 15-20
6 p.
|
artikel
|
| 19 |
Stability of hydroxylamine isomers in aqueous solution: Ab initio study using continuum, cluster-continuum and Shells Theory of Solvation
|
de Lima, Guilherme Ferreira
|
|
2011
|
518 |
C |
p. 61-64
4 p.
|
artikel
|
| 20 |
Structures of the xylose–water complex: Energetics, transitions between conformers and spectroscopy
|
Jin, Lin
|
|
2011
|
518 |
C |
p. 49-54
6 p.
|
artikel
|
| 21 |
The effect of humidity on the adsorption of the hydrazine on single-wall carbon nanotubes: First-principles electronic structure calculations
|
Yu, M.
|
|
2011
|
518 |
C |
p. 93-98
6 p.
|
artikel
|
| 22 |
The effects of an explicit water environment on the interaction of a single wall carbon nanotube with amino acids: A theoretical study
|
Anversa, Jonas
|
|
2011
|
518 |
C |
p. 81-86
6 p.
|
artikel
|
| 23 |
Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of methylcyclohexane in the supersonic jet
|
Han, Songhee
|
|
2011
|
518 |
C |
p. 38-43
6 p.
|
artikel
|
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