| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio complex molecular potential energy surfaces by the back-rotation transformation method
|
Balanarayan, P.
|
|
2012
|
524 |
C |
p. 84-89
6 p.
|
artikel
|
| 2 |
A new topological parameter for monitoring subtle aggregation events in host–guest inclusion processes
|
Novato, Willian T.G.
|
|
2012
|
524 |
C |
p. 100-106
7 p.
|
artikel
|
| 3 |
Atmospheric chemistry of CF3CH2OCH3: Reaction with chlorine atoms and OH radicals, kinetics, degradation mechanism and global warming potential
|
Østerstrøm, Freja From
|
|
2012
|
524 |
C |
p. 32-37
6 p.
|
artikel
|
| 4 |
Cation spectroscopy of o-fluoroanisole and p-fluoroanisole by two-color resonant two-photon mass-analyzed threshold ionization
|
Shiung, Kui Shiu
|
|
2012
|
524 |
C |
p. 38-41
4 p.
|
artikel
|
| 5 |
Comment on ‘Selection rules for Brillouin light scattering from eigenvibrations of a sphere’ [Chem. Phys. Lett. 461 (2008) 111]
|
Mattarelli, M.
|
|
2012
|
524 |
C |
p. 112-115
4 p.
|
artikel
|
| 6 |
Computing polarizabilities without a Hamiltonian matrix
|
Wlotzka, Alexander
|
|
2012
|
524 |
C |
p. 96-99
4 p.
|
artikel
|
| 7 |
Contents
|
|
|
2012
|
524 |
C |
p. iii-viii
nvt p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
2012
|
524 |
C |
p. IFC-
1 p.
|
artikel
|
| 9 |
Erratum to ‘Dynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulations’ [Chem. Phys. Lett. 514 (2011) 124–127]
|
Ilk Capar, M.
|
|
2012
|
524 |
C |
p. 116-
1 p.
|
artikel
|
| 10 |
FePt3/CoFe2O4 core/shell nanostructures and their magnetic properties
|
Akbari, Hossein
|
|
2012
|
524 |
C |
p. 78-83
6 p.
|
artikel
|
| 11 |
First principles description of the insulator–metal transition in europium monoxide
|
Wang, Hao
|
|
2012
|
524 |
C |
p. 68-72
5 p.
|
artikel
|
| 12 |
Gas-phase protein assemblies: Unfolding landscapes and preserving native-like structures using noncovalent adducts
|
Freeke, Joanna
|
|
2012
|
524 |
C |
p. 1-9
9 p.
|
artikel
|
| 13 |
High-field electron paramagnetic resonance as a microscopic probe of anisotropic strain at Mn2+ sites in CdSe:Mn2+ quantum dots
|
Wang, Zhenxing
|
|
2012
|
524 |
C |
p. 73-77
5 p.
|
artikel
|
| 14 |
Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states
|
Verma, Prakash
|
|
2012
|
524 |
C |
p. 10-15
6 p.
|
artikel
|
| 15 |
Large amplitude vibrations of Urea in gas phase
|
Inostroza, N.
|
|
2012
|
524 |
C |
p. 25-31
7 p.
|
artikel
|
| 16 |
Mean Gradient Charge: A new definition of atomic charge using induced atomic gradient
|
Choi, Cheol Ho
|
|
2012
|
524 |
C |
p. 107-111
5 p.
|
artikel
|
| 17 |
Modeling zero-field splitting parameters for dopant Mn2+ and Fe3+ ions in anatase TiO2 crystal using superposition model analysis
|
Açıkgöz, Muhammed
|
|
2012
|
524 |
C |
p. 49-55
7 p.
|
artikel
|
| 18 |
Monte Carlo simulation of several biologically relevant molecules and zwitterions in water
|
Patuwo, Michael Y.
|
|
2012
|
524 |
C |
p. 90-95
6 p.
|
artikel
|
| 19 |
Photo-induced chemical processes on metal–semiconductor–metal nanostructures
|
Zhdanov, Vladimir P.
|
|
2012
|
524 |
C |
p. 16-19
4 p.
|
artikel
|
| 20 |
Photoinduced electron-transfer reactions and magnetic field effects on the decay rates of a photogenerated biradical from zinc porphyrin–viologen linked compounds in an ionic liquid
|
Tahara, Hironobu
|
|
2012
|
524 |
C |
p. 42-48
7 p.
|
artikel
|
| 21 |
The number-adaptive multiscale QM/MM molecular dynamics simulation: Application to liquid water
|
Takenaka, Norio
|
|
2012
|
524 |
C |
p. 56-61
6 p.
|
artikel
|
| 22 |
Theoretical studies on the optimal X (OH)3–H2O (X=N, P, Sb) complexes: Interaction energies and topological analysis of the electronic density
|
Ramírez-Solís, A.
|
|
2012
|
524 |
C |
p. 20-24
5 p.
|
artikel
|
| 23 |
Ultra low-k property of hydrogenated carbon nitride: Chemical evaluation
|
Majumdar, Abhijit
|
|
2012
|
524 |
C |
p. 62-67
6 p.
|
artikel
|
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