| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the Si m Ge n (m + n =7, n =0–7) clusters
|
Xenides, Demetrios
|
|
2010
|
498 |
1-3 |
p. 134-139
6 p.
|
artikel
|
| 2 |
Alignment of liquid crystal molecules in a micro-cell fabricated by femtosecond laser
|
Liao, Yang
|
|
2010
|
498 |
1-3 |
p. 188-191
4 p.
|
artikel
|
| 3 |
A new type of confinement for the Morse potential
|
Silva, Fabrício Ramos
|
|
2010
|
498 |
1-3 |
p. 198-202
5 p.
|
artikel
|
| 4 |
Application of an empirical dispersion potential to van der Waals binding in nitromethane, pentaerythritol, and pentaerythritol tetranitrate
|
Slough, Wil
|
|
2010
|
498 |
1-3 |
p. 97-100
4 p.
|
artikel
|
| 5 |
Buckled graphene: A model study based on density functional theory
|
Khan, M.A.
|
|
2010
|
498 |
1-3 |
p. 157-161
5 p.
|
artikel
|
| 6 |
Calculated two-photon electronic transitions in sulfuric acid and its atmospheric relevance
|
Mogensen, Ditte
|
|
2010
|
498 |
1-3 |
p. 18-21
4 p.
|
artikel
|
| 7 |
Contents
|
|
|
2010
|
498 |
1-3 |
p. iii-xiv
nvt p.
|
artikel
|
| 8 |
Determination of chemical shift of gas-phase hydrogen molecules by 1H nuclear magnetic resonance
|
Fujiwara, Hirotada
|
|
2010
|
498 |
1-3 |
p. 42-44
3 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
2010
|
498 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 10 |
Electron affinities of d 1 transition metal chloride clusters and onset of super halogen behavior
|
Joseph, Jorly
|
|
2010
|
498 |
1-3 |
p. 56-62
7 p.
|
artikel
|
| 11 |
Electron impact dissociation of N2O and CO2 with single particle detection of O(1 D 2)
|
Kedzierski, W.
|
|
2010
|
498 |
1-3 |
p. 38-41
4 p.
|
artikel
|
| 12 |
Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) level
|
Shojaei, S.H. Reza
|
|
2010
|
498 |
1-3 |
p. 45-51
7 p.
|
artikel
|
| 13 |
Energy level shifts in two-step spin–orbit coupling ab initio calculations
|
Sánchez-Sanz, Goar
|
|
2010
|
498 |
1-3 |
p. 226-228
3 p.
|
artikel
|
| 14 |
Experimental evidence for the early nucleation of single-walled carbon nanotubes
|
Moodley, Mathew Kisten
|
|
2010
|
498 |
1-3 |
p. 140-144
5 p.
|
artikel
|
| 15 |
First-principles study of structural, electronic and vibrational properties of aluminum-doped silica nanotubes
|
Zhang, Shengli
|
|
2010
|
498 |
1-3 |
p. 172-177
6 p.
|
artikel
|
| 16 |
Fragmentation of isoxazole molecules by electron impact in the energy range 10–85eV
|
Linert, Ireneusz
|
|
2010
|
498 |
1-3 |
p. 27-31
5 p.
|
artikel
|
| 17 |
Homonuclear dipolar decoupling with very large scaling factors for high-resolution ultrafast magic angle spinning 1H solid-state NMR spectroscopy
|
Salager, Elodie
|
|
2010
|
498 |
1-3 |
p. 214-220
7 p.
|
artikel
|
| 18 |
Impact of cooling rate on the morphology of coalescence silver nanoparticles
|
Hudson, George A.
|
|
2010
|
498 |
1-3 |
p. 151-156
6 p.
|
artikel
|
| 19 |
Indirect methods for the determination of optimal processing conditions in conductive polypropylene/carbon nanotubes composites
|
Logakis, E.
|
|
2010
|
498 |
1-3 |
p. 125-128
4 p.
|
artikel
|
| 20 |
Influence of medium chirality on electric dipole–dipole resonance energy transfer
|
Rodriguez, Justo J.
|
|
2010
|
498 |
1-3 |
p. 67-70
4 p.
|
artikel
|
| 21 |
Investigation of ZPE and temperature effects on the Eley–Rideal recombination of hydrogen atoms on graphene using a multidimensional graphene–H–H potential
|
Sizun, M.
|
|
2010
|
498 |
1-3 |
p. 32-37
6 p.
|
artikel
|
| 22 |
Investigation on L-shell X-ray fluorescence parameters for heavy elements and compounds
|
Cengiz, E.
|
|
2010
|
498 |
1-3 |
p. 107-112
6 p.
|
artikel
|
| 23 |
J-aggregation of N-sulfobutyl oxacarbocyanine in binary mixtures of organic solvents
|
Chibisov, Alexander K.
|
|
2010
|
498 |
1-3 |
p. 63-66
4 p.
|
artikel
|
| 24 |
Mode assignment of vibrational bands of 2-furoic acid in the terahertz frequency region
|
Kambara, Ohki
|
|
2010
|
498 |
1-3 |
p. 86-89
4 p.
|
artikel
|
| 25 |
Modification of the electronic structures of graphene by viologen
|
Jeong, Hae Kyung
|
|
2010
|
498 |
1-3 |
p. 168-171
4 p.
|
artikel
|
| 26 |
Novel organic paramagnetic nanofibers and nanostructures: A spectroscopic investigation
|
Mastromatteo, D.
|
|
2010
|
498 |
1-3 |
p. 129-133
5 p.
|
artikel
|
| 27 |
On the interaction of luminol with human serum albumin: Nature and thermodynamics of ligand binding
|
Moyon, N. Shaemningwar
|
|
2010
|
498 |
1-3 |
p. 178-183
6 p.
|
artikel
|
| 28 |
On ultrasmall nanocrystals
|
McBride, James R.
|
|
2010
|
498 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 29 |
Permanent group effect on nucleofugality in aryl benzoates
|
R. Campodónico, Paola
|
|
2010
|
498 |
1-3 |
p. 221-225
5 p.
|
artikel
|
| 30 |
Photoelectron spectroscopy and density-functional study of Sc2Si n − (n =2–6) clusters
|
Xu, Hong-Guang
|
|
2010
|
498 |
1-3 |
p. 22-26
5 p.
|
artikel
|
| 31 |
Potential existence of postperovskite nitrofluorides: In silico LaZrN2F
|
Matar, Samir F.
|
|
2010
|
498 |
1-3 |
p. 77-80
4 p.
|
artikel
|
| 32 |
Redox behaviors of the neurotoxic portion in human prion protein, HuPrP(106–126)
|
Yamamoto, Norifumi
|
|
2010
|
498 |
1-3 |
p. 184-187
4 p.
|
artikel
|
| 33 |
Significant alterations in anisotropic ice growth rate induced by the ice nucleation-active bacteria Xanthomonas campestris
|
Nada, Hiroki
|
|
2010
|
498 |
1-3 |
p. 101-106
6 p.
|
artikel
|
| 34 |
Synthesis and photoelectrical properties of β-Cyclodextrin functionalized graphene materials with high bio-recognition capability
|
Xu, Chunhui
|
|
2010
|
498 |
1-3 |
p. 162-167
6 p.
|
artikel
|
| 35 |
Synthesis, characterization and photocatalytic performance of transition metal tungstates
|
Montini, Tiziano
|
|
2010
|
498 |
1-3 |
p. 113-119
7 p.
|
artikel
|
| 36 |
Temperature dependence of chemical and biophysical rate processes: Phenomenological approach to deviations from Arrhenius law
|
Aquilanti, Vincenzo
|
|
2010
|
498 |
1-3 |
p. 209-213
5 p.
|
artikel
|
| 37 |
Temperature induced proton transfer in a hydrogen bonded supramolecule
|
Bhunia, Manas K.
|
|
2010
|
498 |
1-3 |
p. 145-150
6 p.
|
artikel
|
| 38 |
Temperature influence on lanthanoids (III) hydration from molecular dynamics simulations
|
Duvail, Magali
|
|
2010
|
498 |
1-3 |
p. 90-96
7 p.
|
artikel
|
| 39 |
The branching ratio in the infrared predissociation of aniline–water–methanol+ ion
|
Alauddin, Md.
|
|
2010
|
498 |
1-3 |
p. 14-17
4 p.
|
artikel
|
| 40 |
The linear response kernel of conceptual DFT as a measure of electron delocalisation
|
Sablon, Nick
|
|
2010
|
498 |
1-3 |
p. 192-197
6 p.
|
artikel
|
| 41 |
Theoretical study of CO oxidation on small gold cluster anions: Role of the carbonate adducts
|
Lin, Ling
|
|
2010
|
498 |
1-3 |
p. 120-124
5 p.
|
artikel
|
| 42 |
The quadrupole moment of the As nucleus from molecular microwave data and calculated relativistic electric field gradients
|
Demovič, Lukáš
|
|
2010
|
498 |
1-3 |
p. 10-13
4 p.
|
artikel
|
| 43 |
Time resolved spectroscopic studies of methylene blue and phenothiazine derivatives used for bacteria inactivation
|
Chen, Jie
|
|
2010
|
498 |
1-3 |
p. 81-85
5 p.
|
artikel
|
| 44 |
Tunnelling splittings in the rotational spectrum of 3-fluoro-benzylalcohol
|
Tang, Shouyuan
|
|
2010
|
498 |
1-3 |
p. 52-55
4 p.
|
artikel
|
| 45 |
Ultrafast relaxation dynamics of photoexcitations in poly(3-hexylthiophene) for the determination of the defect concentration
|
Lee, Yu Hsien
|
|
2010
|
498 |
1-3 |
p. 71-76
6 p.
|
artikel
|
| 46 |
XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules
|
Guo, Wenping
|
|
2010
|
498 |
1-3 |
p. 203-208
6 p.
|
artikel
|
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