| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A graph theory study on (ZnS) n (n =3–10) nanoclusters
|
Mohajeri, Afshan
|
|
2011
|
503 |
1-3 |
p. 162-166
5 p.
|
artikel
|
| 2 |
A perturbatively corrected tight-binding method with hybridization: Application to gold nanoparticles
|
Rincon, Luis
|
|
2011
|
503 |
1-3 |
p. 171-175
5 p.
|
artikel
|
| 3 |
Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes
|
Zawada, A.
|
|
2011
|
503 |
1-3 |
p. 39-44
6 p.
|
artikel
|
| 4 |
A tunable homonuclear dipolar decoupling scheme for high-resolution proton NMR of solids from slow to fast magic-angle spinning
|
Gan, Zhehong
|
|
2011
|
503 |
1-3 |
p. 167-170
4 p.
|
artikel
|
| 5 |
Biological water: A critique
|
Zhong, Dongping
|
|
2011
|
503 |
1-3 |
p. 1-11
11 p.
|
artikel
|
| 6 |
Blue shift of Tm3+ upconversion owing to Nd3+ in yttrium oxide powders pumped by pulsed red laser
|
Rakov, Nikifor
|
|
2011
|
503 |
1-3 |
p. 124-128
5 p.
|
artikel
|
| 7 |
Charge transfer dynamics of carbon ions with uracil and halouracil targets at low collision energies
|
Bacchus-Montabonel, Marie-Christine
|
|
2011
|
503 |
1-3 |
p. 45-48
4 p.
|
artikel
|
| 8 |
Chemisorbed atomic oxygen inducing Pd segregation in PdAu(111) alloy: Energetic and electronic DFT analysis
|
Guesmi, Hazar
|
|
2011
|
503 |
1-3 |
p. 97-100
4 p.
|
artikel
|
| 9 |
Contents
|
|
|
2011
|
503 |
1-3 |
p. iii-xii
nvt p.
|
artikel
|
| 10 |
Crystal structure and characterization of a novel acentric imidazolium analog [ C 3 N 2 H 5 + ] [ Br - ]
|
Gągor, A.
|
|
2011
|
503 |
1-3 |
p. 134-138
5 p.
|
artikel
|
| 11 |
Degree of pyramidality governs the height and peak position of the free-energy-barrier for the cis–trans isomerization of N-Methylacetamide
|
Yonezawa, Yasushige
|
|
2011
|
503 |
1-3 |
p. 139-144
6 p.
|
artikel
|
| 12 |
DFT study on the NO oxidation on a flat gold surface model
|
Fajín, José L.C.
|
|
2011
|
503 |
1-3 |
p. 129-133
5 p.
|
artikel
|
| 13 |
Dipole induced transitions in an anharmonic oscillator: A dynamical mean field model
|
Berrondo, M.
|
|
2011
|
503 |
1-3 |
p. 180-184
5 p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
2011
|
503 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 15 |
Energy level alignments at poly[N-9′′-hepta-decanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadiazole)] on metal and polymer interfaces
|
Seo, Jung Hwa
|
|
2011
|
503 |
1-3 |
p. 101-104
4 p.
|
artikel
|
| 16 |
Erratum to “The use of unsymmetrical one-range addition theorems of Slater type orbitals for the calculation of intermolecular Coulomb interaction energy” [Chem. Phys. Lett. 501 (2011) 594]
|
Guseinov, I.I.
|
|
2011
|
503 |
1-3 |
p. 185-
1 p.
|
artikel
|
| 17 |
Experimental and PCM/TD-DFT investigation on the absorption and emission spectra of a light emitting material in various solvents
|
Liu, Xiaojun
|
|
2011
|
503 |
1-3 |
p. 75-79
5 p.
|
artikel
|
| 18 |
Experimental and theoretical study of the reactions of iron and manganese oxides with dinitrogen in a cryogenic matrix
|
Lu, Zhang-Hui
|
|
2011
|
503 |
1-3 |
p. 33-38
6 p.
|
artikel
|
| 19 |
First principles study of Ca2PtO4 in K2NiF4 and ‘post-K2NiF4’ type structures
|
Matar, Samir F.
|
|
2011
|
503 |
1-3 |
p. 49-52
4 p.
|
artikel
|
| 20 |
Influence of humidity on the nanoadhesion between a hydrophobic and a hydrophilic surface
|
Ptak, A.
|
|
2011
|
503 |
1-3 |
p. 66-70
5 p.
|
artikel
|
| 21 |
Influence of surface chemistry on the electronic properties of graphene nanoflakes
|
Chutia, Arunabhiram
|
|
2011
|
503 |
1-3 |
p. 91-96
6 p.
|
artikel
|
| 22 |
Interference-corrected explicitly-correlated second-order perturbation theory
|
Vogiatzis, Konstantinos D.
|
|
2011
|
503 |
1-3 |
p. 157-161
5 p.
|
artikel
|
| 23 |
Investigation of interfacial charging and discharging in double-layer pentacene-based metal-insulator-metal device with polyterpenol blocking layer using electric field induced second harmonic generation
|
Bazaka, Kateryna
|
|
2011
|
503 |
1-3 |
p. 105-111
7 p.
|
artikel
|
| 24 |
Luminescent microstructures in bulk and thin films of PMMA, PDMS, PVA, and PS fabricated using femtosecond direct writing technique
|
Deepak, K.L.N.
|
|
2011
|
503 |
1-3 |
p. 57-60
4 p.
|
artikel
|
| 25 |
Microstructural parameters and optical constants of CdS thin films synthesized with various bath temperature
|
Sharkey, J. Joseph
|
|
2011
|
503 |
1-3 |
p. 86-90
5 p.
|
artikel
|
| 26 |
Molecular dynamics simulation of energetic aluminum/palladium core–shell nanoparticles
|
Nguyen, Ngoc Ha
|
|
2011
|
503 |
1-3 |
p. 112-117
6 p.
|
artikel
|
| 27 |
Multi-Scale Free Energy Landscape calculation method by combination of coarse-grained and all-atom models
|
Harada, Ryuhei
|
|
2011
|
503 |
1-3 |
p. 145-152
8 p.
|
artikel
|
| 28 |
On the stability of S(OF)2: A coupled-cluster analysis of the structures and thermochemical properties for conformers of sulfur-oxyfluorides
|
Napolion, Brian
|
|
2011
|
503 |
1-3 |
p. 29-32
4 p.
|
artikel
|
| 29 |
Perturbation theory and the two-level approximation: A corollary and critique
|
Andrews, David L.
|
|
2011
|
503 |
1-3 |
p. 153-156
4 p.
|
artikel
|
| 30 |
Selected cis- and trans-p-methoxystyrene rotamers studied by mass-analyzed threshold ionization spectroscopy
|
Qin, Chaochao
|
|
2011
|
503 |
1-3 |
p. 25-28
4 p.
|
artikel
|
| 31 |
Single-photon fluorescence enhancement in IR144 by phase-modulated femtosecond pulses
|
Zhang, Hui
|
|
2011
|
503 |
1-3 |
p. 176-179
4 p.
|
artikel
|
| 32 |
Site-specific polarizabilities as predictors of favorable adsorption sites on Na n clusters
|
Ma, Li
|
|
2011
|
503 |
1-3 |
p. 80-85
6 p.
|
artikel
|
| 33 |
Structure of the methylthiolate monolayer on Ag (111): The role of substrate vacancies
|
Abufager, P.N.
|
|
2011
|
503 |
1-3 |
p. 71-74
4 p.
|
artikel
|
| 34 |
Structure of vibrational bands of the E 3 Σ + ( 6 3 S 1 ) ← A 3 Π 0 + (53P1), B3 Σ 1 + (53P1) transitions in CdAr and CdKr studied by optical–optical double resonance method
|
Urbańczyk, T.
|
|
2011
|
503 |
1-3 |
p. 18-24
7 p.
|
artikel
|
| 35 |
Surface-enhanced Raman scattering of size-selected polyynes (C8H2) adsorbed on silver colloidal nanoparticles
|
Hanamura, Kenji
|
|
2011
|
503 |
1-3 |
p. 118-123
6 p.
|
artikel
|
| 36 |
Theoretical study of H2 dissociation on a ZrO2 cluster
|
Syzgantseva, Olga
|
|
2011
|
503 |
1-3 |
p. 12-17
6 p.
|
artikel
|
| 37 |
The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling
|
Schriever, Christian
|
|
2011
|
503 |
1-3 |
p. 61-65
5 p.
|
artikel
|
| 38 |
The structure of FePc on Cu(100)
|
Zhang, Hanjie
|
|
2011
|
503 |
1-3 |
p. 53-56
4 p.
|
artikel
|
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