| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and experimental study of the K-shell spectra of 2,5-dihydrofuran
|
Duflot, D.
|
|
2005
|
310 |
1-3 |
p. 67-75
9 p.
|
artikel
|
| 2 |
Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5
|
Matar, S.F.
|
|
2005
|
310 |
1-3 |
p. 231-238
8 p.
|
artikel
|
| 3 |
A compact formulation for multi-component transport coefficients in gas mixtures
|
Ern, A.
|
|
2005
|
310 |
1-3 |
p. 311-319
9 p.
|
artikel
|
| 4 |
An accurate expression for radial distribution function of the Lennard-Jones fluid
|
Morsali, Ali
|
|
2005
|
310 |
1-3 |
p. 11-15
5 p.
|
artikel
|
| 5 |
Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study
|
Barbosa, Silvia
|
|
2005
|
310 |
1-3 |
p. 51-58
8 p.
|
artikel
|
| 6 |
Analysis to obtain precise density fluctuation of supercritical fluids by small-angle X-ray scattering
|
Arai, Asako Ayusawa
|
|
2005
|
310 |
1-3 |
p. 123-128
6 p.
|
artikel
|
| 7 |
A theoretical study of the excited electronic states of the SiCN system
|
Flores, J.R.
|
|
2005
|
310 |
1-3 |
p. 303-310
8 p.
|
artikel
|
| 8 |
Author index
|
|
|
2005
|
310 |
1-3 |
p. 323-326
4 p.
|
artikel
|
| 9 |
Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1⩽ n ⩽3 and CH2F2⋯(HF)1⩽ n ⩽3
|
Karpfen, Alfred
|
|
2005
|
310 |
1-3 |
p. 77-84
8 p.
|
artikel
|
| 10 |
Cluster-assistant generation of multiply charged atomic ions in nanosecond laser ionization of seeded methyl iodide beam
|
Luo, Xiaolin
|
|
2005
|
310 |
1-3 |
p. 17-24
8 p.
|
artikel
|
| 11 |
Computational studies on the thermal decomposition and isomerization of CHBr2O radical
|
Drougas, Evangelos
|
|
2005
|
310 |
1-3 |
p. 249-256
8 p.
|
artikel
|
| 12 |
Computational study of calix[4]arene derivatives and complexation with Zn2+
|
Suwattanamala, A.
|
|
2005
|
310 |
1-3 |
p. 109-122
14 p.
|
artikel
|
| 13 |
Computational study of glycine–(water)3 complex by density functional method
|
Chaudhari, Ajay
|
|
2005
|
310 |
1-3 |
p. 281-285
5 p.
|
artikel
|
| 14 |
Computer simulation of Cl− hydration in anion–water clusters
|
Shevkunov, Sergey V.
|
|
2005
|
310 |
1-3 |
p. 97-107
11 p.
|
artikel
|
| 15 |
Corrigendum to “Depolarisation of the spatial alignment of the rotational angular momentum vector by hyperfine interaction” [Chem. Phys. 301 (2004) 189]
|
Rutkowski, M.
|
|
2005
|
310 |
1-3 |
p. 321-322
2 p.
|
artikel
|
| 16 |
Dehydration energies of alkaline earth metal halides – a novel simulation methodology
|
Sudha, V.
|
|
2005
|
310 |
1-3 |
p. 59-66
8 p.
|
artikel
|
| 17 |
Editorial board
|
|
|
2005
|
310 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 18 |
Effect of molecular weight and its distribution on the spinodal for polydisperse polymer solutions
|
Du, Xiyan
|
|
2005
|
310 |
1-3 |
p. 225-230
6 p.
|
artikel
|
| 19 |
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier
|
Dietl, C.
|
|
2005
|
310 |
1-3 |
p. 201-211
11 p.
|
artikel
|
| 20 |
Further investigation about Lagrangian theorem-based density functional approximation: test by non-uniform polymer melt
|
Zhou, Shiqi
|
|
2005
|
310 |
1-3 |
p. 129-137
9 p.
|
artikel
|
| 21 |
Infrared study of 1-octanol liquid structure
|
Paolantoni, Marco
|
|
2005
|
310 |
1-3 |
p. 169-178
10 p.
|
artikel
|
| 22 |
Magnetic properties of d1–d1–d2 MV trimers with partial electron delocalization in the generalized vibronic model
|
Hu, Haiquan
|
|
2005
|
310 |
1-3 |
p. 273-280
8 p.
|
artikel
|
| 23 |
Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes
|
Nazmutdinov, Renat R.
|
|
2005
|
310 |
1-3 |
p. 257-268
12 p.
|
artikel
|
| 24 |
Modeling of biliverdin reduction process: regio-specificity and H-bonding
|
Zahedi, Mansour
|
|
2005
|
310 |
1-3 |
p. 179-187
9 p.
|
artikel
|
| 25 |
Modeling of decoherence and dissipation in nonadiabatic photoreactions by an effective-scaling nonsecular Redfield algorithm
|
Balzer, Birgit
|
|
2005
|
310 |
1-3 |
p. 33-41
9 p.
|
artikel
|
| 26 |
NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids
|
Iliescu, T.
|
|
2005
|
310 |
1-3 |
p. 189-199
11 p.
|
artikel
|
| 27 |
Observation and rovibrational analysis of the ν2 band of HCN–H35Cl
|
Wugt Larsen, R.
|
|
2005
|
310 |
1-3 |
p. 163-167
5 p.
|
artikel
|
| 28 |
On temperature- and space-dimension dependent matter agglomerations in a mature growing stage
|
Gadomski, A.
|
|
2005
|
310 |
1-3 |
p. 153-161
9 p.
|
artikel
|
| 29 |
Phenylacetylene adsorption on Rh(100): a photoemission and photoabsorption investigation
|
Iucci, G.
|
|
2005
|
310 |
1-3 |
p. 43-49
7 p.
|
artikel
|
| 30 |
Quantum chemical and conventional TST calculations of rate constants for the OH+alkane reaction
|
Bravo-Pérez, Graciela
|
|
2005
|
310 |
1-3 |
p. 213-223
11 p.
|
artikel
|
| 31 |
Quantum efficiency of 1S0 and 3P0,1 levels of Pr3+ doped YF3
|
Kück, Stefan
|
|
2005
|
310 |
1-3 |
p. 139-144
6 p.
|
artikel
|
| 32 |
Rare gas–iodine complexes in the ion-pair states
|
Akopyan, M.E.
|
|
2005
|
310 |
1-3 |
p. 287-295
9 p.
|
artikel
|
| 33 |
Spectroscopic properties of K5Li2UF10
|
Karbowiak, M.
|
|
2005
|
310 |
1-3 |
p. 239-248
10 p.
|
artikel
|
| 34 |
Structural features responsible for GFPuv and S147P-GFP’s improved fluorescence
|
Baffour-Awuah, Nana Yaa
|
|
2005
|
310 |
1-3 |
p. 25-31
7 p.
|
artikel
|
| 35 |
Subject index
|
|
|
2005
|
310 |
1-3 |
p. 327-335
9 p.
|
artikel
|
| 36 |
Symmetry distortion of extended 1-D π-electron systems
|
Tyutyulkov, N.
|
|
2005
|
310 |
1-3 |
p. 297-301
5 p.
|
artikel
|
| 37 |
Theoretical electronic structure including spin–orbit effects of the alkali dimer cation Cs 2 +
|
Jraij, A.
|
|
2005
|
310 |
1-3 |
p. 145-151
7 p.
|
artikel
|
| 38 |
Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state
|
Hou, Xin-Juan
|
|
2005
|
310 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 39 |
Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations
|
Gohaud, Neil
|
|
2005
|
310 |
1-3 |
p. 85-96
12 p.
|
artikel
|
| 40 |
Weinhold length in an isentropic ideal and quasi-ideal gas
|
Santoro, Manuel
|
|
2005
|
310 |
1-3 |
p. 269-272
4 p.
|
artikel
|
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