nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio interaction potential of methane and nitrogen
|
Shadman, Muhammad |
|
2009 |
467 |
4-6 |
p. 237-242 6 p. |
artikel |
2 |
Adsorption-/desorption-limited diffusion of porphyrin molecules in nano-porous TiO2 networks
|
Dürr, M. |
|
2009 |
467 |
4-6 |
p. 358-360 3 p. |
artikel |
3 |
Anomalous reaction of oxide radical ion with 5-azacytosines: An experimental and theoretical study
|
Prasanthkumar, Kavanal P. |
|
2009 |
467 |
4-6 |
p. 381-386 6 p. |
artikel |
4 |
Application of the fragment molecular orbital method for determination of atomic charges on polypeptides. II. Towards an improvement of force fields used for classical molecular dynamics simulations
|
Okiyama, Yoshio |
|
2009 |
467 |
4-6 |
p. 417-423 7 p. |
artikel |
5 |
Author Index
|
|
|
2009 |
467 |
4-6 |
p. 439-445 7 p. |
artikel |
6 |
Cavity ring-down spectroscopy of singlet oxygen generated in microwave plasma
|
Földes, T. |
|
2009 |
467 |
4-6 |
p. 233-236 4 p. |
artikel |
7 |
Conformational dependence of anharmonic NH stretch vibration in peptides
|
Wang, Jianping |
|
2009 |
467 |
4-6 |
p. 375-380 6 p. |
artikel |
8 |
Contents
|
|
|
2009 |
467 |
4-6 |
p. iii-xiv nvt p. |
artikel |
9 |
Density functional study of aqueous uranyl(VI) fluoride complexes
|
Bühl, Michael |
|
2009 |
467 |
4-6 |
p. 287-293 7 p. |
artikel |
10 |
Direct Monte Carlo evaluation of real-time quantum correlation functions using single-step propagators
|
Kegerreis, Jeb |
|
2009 |
467 |
4-6 |
p. 430-434 5 p. |
artikel |
11 |
Editorial Board
|
|
|
2009 |
467 |
4-6 |
p. IFC- 1 p. |
artikel |
12 |
Effect of finite pulse duration in three pulse photon echo experiments: Numerical comparison of 3PEPS and S3PE
|
Yang, Mino |
|
2009 |
467 |
4-6 |
p. 304-308 5 p. |
artikel |
13 |
Effect of oxygen content on structural and transport properties in SrTiO3−x thin films
|
Cai, H.L. |
|
2009 |
467 |
4-6 |
p. 313-317 5 p. |
artikel |
14 |
Electronic structure of Bi 3 Ga y ( - ) semiconductor clusters and the special stability of Bi 3 Ga 2 - – A gas phase Zintl analogue
|
Gupta, Ujjwal |
|
2009 |
467 |
4-6 |
p. 223-229 7 p. |
artikel |
15 |
Evidence for a non-Rydberg molecular doubly excited state of Ca2
|
Gaveau, M.-A. |
|
2009 |
467 |
4-6 |
p. 260-264 5 p. |
artikel |
16 |
Exponential decay of relaxation effects at LaAlO3/SrTiO3 heterointerfaces
|
Schwingenschlögl, U. |
|
2009 |
467 |
4-6 |
p. 354-357 4 p. |
artikel |
17 |
‘Ex situ’ magnetic resonance volume imaging
|
Demas, Vasiliki |
|
2009 |
467 |
4-6 |
p. 398-401 4 p. |
artikel |
18 |
Graphene-like nano-sheets for surface acoustic wave gas sensor applications
|
Arsat, R. |
|
2009 |
467 |
4-6 |
p. 344-347 4 p. |
artikel |
19 |
Graphene sheets via microwave chemical vapor deposition
|
Yuan, G.D. |
|
2009 |
467 |
4-6 |
p. 361-364 4 p. |
artikel |
20 |
Growth kinetics of silicon nanowires by platinum assisted vapour–liquid–solid mechanism
|
Jeong, H. |
|
2009 |
467 |
4-6 |
p. 331-334 4 p. |
artikel |
21 |
High-aspect-ratio gold nanorods synthesized in a surfactant gel phase
|
Takenaka, Yoshiko |
|
2009 |
467 |
4-6 |
p. 327-330 4 p. |
artikel |
22 |
High-level ab-initio calculation of gas-phase NMR chemical shifts and secondary isotope effects of methanol
|
Auer, Alexander A. |
|
2009 |
467 |
4-6 |
p. 230-232 3 p. |
artikel |
23 |
Hybrid Monte-Carlo simulations of fluorescence anisotropy decay in three-component donor–mediator–acceptor systems in the presence of energy transfer
|
Kułak, Leszek |
|
2009 |
467 |
4-6 |
p. 435-438 4 p. |
artikel |
24 |
Hyper-Rayleigh scattering from BaTiO3 and PbTiO3 nanocrystals
|
Rodriguez, Ernesto V. |
|
2009 |
467 |
4-6 |
p. 335-338 4 p. |
artikel |
25 |
Insertion of transition metal atoms and ions into the nanoscale dodecahedral silsesquioxane (T12-POSS) cage: Structures, stabilities and electronic properties
|
Hossain, Delwar |
|
2009 |
467 |
4-6 |
p. 348-353 6 p. |
artikel |
26 |
IR–UV double resonance spectra of pyrazine dimers: Competition between CH ⋯ π , π ⋯ π and CH ⋯ N interactions
|
Busker, Matthias |
|
2009 |
467 |
4-6 |
p. 255-259 5 p. |
artikel |
27 |
Local-field correction for intra-4f-configurational transitions of rare earth ions embedded in amorphous chalcogenide solids
|
Choi, Yong Gyu |
|
2009 |
467 |
4-6 |
p. 323-326 4 p. |
artikel |
28 |
Local MP2 periodic study of rare-gas crystals
|
Halo, Migen |
|
2009 |
467 |
4-6 |
p. 294-298 5 p. |
artikel |
29 |
On the use of descriptors arising from the conceptual density functional theory for the prediction of chemicals explosibility
|
Fayet, Guillaume |
|
2009 |
467 |
4-6 |
p. 407-411 5 p. |
artikel |
30 |
Quantum sieving in organic frameworks
|
Garberoglio, Giovanni |
|
2009 |
467 |
4-6 |
p. 270-275 6 p. |
artikel |
31 |
Second-order quadrupolar shifts as an NMR probe of fast molecular-scale dynamics in solids
|
Kurkiewicz, Teresa |
|
2009 |
467 |
4-6 |
p. 412-416 5 p. |
artikel |
32 |
Simple Hofmeister series
|
Lyklema, Johannes |
|
2009 |
467 |
4-6 |
p. 217-222 6 p. |
artikel |
33 |
Single-molecule DNA conductance in water solutions: Role of DNA low-frequency dynamics
|
Starikov, E.B. |
|
2009 |
467 |
4-6 |
p. 369-374 6 p. |
artikel |
34 |
Stability of growth rate of sodium chlorate
|
Mitrović, M.M. |
|
2009 |
467 |
4-6 |
p. 299-303 5 p. |
artikel |
35 |
Terahertz optical properties of the high explosive β -HMX
|
Hooper, J. |
|
2009 |
467 |
4-6 |
p. 309-312 4 p. |
artikel |
36 |
Terahertz spectroscopy of l-proline in reverse aqueous micelles
|
Cooksey, Catherine C. |
|
2009 |
467 |
4-6 |
p. 424-429 6 p. |
artikel |
37 |
The adiabatic electron affinities (EAs) for the heteroatomic molecule SO4: An MP2/CBS study
|
Zheng, Wenxu |
|
2009 |
467 |
4-6 |
p. 402-406 5 p. |
artikel |
38 |
The 13C NMR properties of low hydroxylated fullerenes with density functional theory
|
Fileti, Eudes E. |
|
2009 |
467 |
4-6 |
p. 339-343 5 p. |
artikel |
39 |
The ejection anisotropy in the Coulomb explosion of some alkyl halide molecules under strong ps laser fields
|
Kaziannis, S. |
|
2009 |
467 |
4-6 |
p. 281-286 6 p. |
artikel |
40 |
Theoretical characters of the ground states of YbX (X=F, Cl, Br, I, At)
|
Su, Tao |
|
2009 |
467 |
4-6 |
p. 265-269 5 p. |
artikel |
41 |
Theoretical prediction of ring structures for ZnS quantum dots
|
Pal, Sougata |
|
2009 |
467 |
4-6 |
p. 365-368 4 p. |
artikel |
42 |
Theoretical studies on the bonding of Cd2+ to adenine and thymine: Tautomeric equilibrium and metalation in base pairing
|
Wu, Yan |
|
2009 |
467 |
4-6 |
p. 387-392 6 p. |
artikel |
43 |
Theoretical studies on the nature of bonding in σ-hole complexes
|
Mohajeri, A. |
|
2009 |
467 |
4-6 |
p. 393-397 5 p. |
artikel |
44 |
Theoretical study of cocaine and ecgonine methyl ester in gas phase and in aqueous solution
|
Rincón, David A. |
|
2009 |
467 |
4-6 |
p. 249-254 6 p. |
artikel |
45 |
Theoretical study of the dynamics of H+alkane reactions
|
Layfield, Joshua P. |
|
2009 |
467 |
4-6 |
p. 243-248 6 p. |
artikel |
46 |
The predictions of the critical point parameters for Al, Cu and W found from the correspondence between the critical point and unit compressibility line (Zeno line) positions
|
Apfelbaum, E.M. |
|
2009 |
467 |
4-6 |
p. 318-322 5 p. |
artikel |
47 |
The role of accurate quantum mechanical computations in the assignment of vibrational spectra for unstable free radicals: H2CN and F2CN as test cases
|
Puzzarini, Cristina |
|
2009 |
467 |
4-6 |
p. 276-280 5 p. |
artikel |