nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan
|
Pastore, Mariachiara |
|
2006 |
426 |
4-6 |
p. 445-451 7 p. |
artikel |
2 |
A possible route to the violation of Vavilov–Kasha rule in π-conjugated polymers
|
Ghosh, Haranath |
|
2006 |
426 |
4-6 |
p. 431-435 5 p. |
artikel |
3 |
A QM/MM MD simulation study of hydrated Pd2+
|
Shah, S. Adnan Ali |
|
2006 |
426 |
4-6 |
p. 301-305 5 p. |
artikel |
4 |
A theoretical study of singlet low-energy excited states of the benzene dimer
|
Rocha-Rinza, Tomás |
|
2006 |
426 |
4-6 |
p. 268-272 5 p. |
artikel |
5 |
Author Index
|
|
|
2006 |
426 |
4-6 |
p. 474-482 9 p. |
artikel |
6 |
Characterization of C n = 2 – 16 + clusters produced by electronic sputtering
|
Fernandez-Lima, Franciso Alberto |
|
2006 |
426 |
4-6 |
p. 351-356 6 p. |
artikel |
7 |
CO2 adsorption in alkali cation exchanged Y faujasites: A quantum chemical study compared to experiments
|
Plant, D.F. |
|
2006 |
426 |
4-6 |
p. 387-392 6 p. |
artikel |
8 |
Complete local control of molecular excited state photo-fragmentation
|
Marquetand, Philipp |
|
2006 |
426 |
4-6 |
p. 263-267 5 p. |
artikel |
9 |
Contents
|
|
|
2006 |
426 |
4-6 |
p. iii-xiv nvt p. |
artikel |
10 |
Controlling the reaction and motion of a single molecule by vibrational excitation
|
Ohara, Michiaki |
|
2006 |
426 |
4-6 |
p. 357-360 4 p. |
artikel |
11 |
Cooperative relaxation of the metastable states in the photomagnetic octacyanotungstate CsI[{CoII(3-CN-py)2}{WV(CN)8}]·H2O
|
Le Bris, Rémy |
|
2006 |
426 |
4-6 |
p. 380-386 7 p. |
artikel |
12 |
Crystalline nano-structures of Ga2O3 with herringbone morphology
|
Jalilian, R. |
|
2006 |
426 |
4-6 |
p. 393-397 5 p. |
artikel |
13 |
DC slice ion imaging of the ultraviolet photodissociation of BrCN
|
Huang, Cunshun |
|
2006 |
426 |
4-6 |
p. 242-247 6 p. |
artikel |
14 |
DFT studies on the structure and stability of zwitterionic tetrahedral intermediate in the aminolysis of esters
|
Sung, Dae Dong |
|
2006 |
426 |
4-6 |
p. 280-284 5 p. |
artikel |
15 |
Disentangling the complex line profiles in the Cl 2p photoelectron spectra of Cl2
|
Travnikova, Oksana |
|
2006 |
426 |
4-6 |
p. 452-458 7 p. |
artikel |
16 |
Dynamics of absorbed water in saponite clay: Neutron scattering study
|
Chakrabarty, Debojit |
|
2006 |
426 |
4-6 |
p. 296-300 5 p. |
artikel |
17 |
Editorial Board
|
|
|
2006 |
426 |
4-6 |
p. CO2- 1 p. |
artikel |
18 |
Enhanced hole injection in a polymer light emitting diode using a small molecule monolayer bound to the anode
|
Guo, Jing |
|
2006 |
426 |
4-6 |
p. 370-373 4 p. |
artikel |
19 |
Enhancing cross-peak intensity in 2D-SLF spectroscopy – The role of equilibrium carbon magnetization in cross-polarization experiment
|
Das, Bibhuti B. |
|
2006 |
426 |
4-6 |
p. 422-425 4 p. |
artikel |
20 |
Entanglement of vibrational modes in triatomic molecules
|
Hou, Xi-Wen |
|
2006 |
426 |
4-6 |
p. 469-473 5 p. |
artikel |
21 |
Extended planarity and π delocalization in triazine-based derivatives
|
Fernández, M.I. |
|
2006 |
426 |
4-6 |
p. 290-295 6 p. |
artikel |
22 |
First-principles calculations on the structural evolution of solid fullerene-like CP x
|
Gueorguiev, G.K. |
|
2006 |
426 |
4-6 |
p. 374-379 6 p. |
artikel |
23 |
Fluorescence lifetime of gas-phase toluene at elevated temperatures
|
Zimmermann, Frank P. |
|
2006 |
426 |
4-6 |
p. 248-251 4 p. |
artikel |
24 |
Fluorescence of dicyanovinyl julolidine in a room-temperature ionic liquid
|
Gutkowski, Karin I. |
|
2006 |
426 |
4-6 |
p. 329-333 5 p. |
artikel |
25 |
H-bonding assisted intramolecular charge transfer in 1-aminopyrene derivatives
|
Pereira, Robson Valentim |
|
2006 |
426 |
4-6 |
p. 311-317 7 p. |
artikel |
26 |
High-power infrared laser induced increase of passing probability of molecules through a cooled multichannel plate
|
Makarov, G.N. |
|
2006 |
426 |
4-6 |
p. 464-468 5 p. |
artikel |
27 |
Molecular-level Monte Carlo simulation at fixed entropy
|
Smith, William R. |
|
2006 |
426 |
4-6 |
p. 436-440 5 p. |
artikel |
28 |
Na+ more strongly inhibits DNA compaction by spermidine (3+) than K+
|
Hibino, Kumiko |
|
2006 |
426 |
4-6 |
p. 405-409 5 p. |
artikel |
29 |
Nanopatterning of hydroxy-terminated self-assembled monolayer taking advantage of terminal group modification
|
Miyake, Takeo |
|
2006 |
426 |
4-6 |
p. 361-364 4 p. |
artikel |
30 |
Performance of various density functionals for the hydrogen bonds in DNA base pairs
|
van der Wijst, Tushar |
|
2006 |
426 |
4-6 |
p. 415-421 7 p. |
artikel |
31 |
Photo double detachment of CN−: Electronic decay from an inner-valence hole in molecular anions
|
Bilodeau, R.C. |
|
2006 |
426 |
4-6 |
p. 237-241 5 p. |
artikel |
32 |
Preparation of carbon nanotubes over cobalt-containing catalysts via catalytic decomposition of methane
|
Chai, Siang-Piao |
|
2006 |
426 |
4-6 |
p. 345-350 6 p. |
artikel |
33 |
Pulse radiolysis of polystyrene in cyclohexane – Effect of carbon tetrachloride on kinetic dynamics of dimer radical cation−
|
Okamoto, Kazumasa |
|
2006 |
426 |
4-6 |
p. 306-310 5 p. |
artikel |
34 |
Quantum chemical study of biradical decay channels in cytidine nucleosides
|
Zgierski, Marek Z. |
|
2006 |
426 |
4-6 |
p. 398-404 7 p. |
artikel |
35 |
Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2H +NH3) – The electron localization function study
|
Berski, Slawomir |
|
2006 |
426 |
4-6 |
p. 273-279 7 p. |
artikel |
36 |
Substituent effect on the structures and luminescence of binuclear Au(I) complexes: An ab initio study
|
Pan, Qing-Jiang |
|
2006 |
426 |
4-6 |
p. 257-262 6 p. |
artikel |
37 |
Swept-frequency two-pulse phase modulation for heteronuclear dipolar decoupling in solid-state NMR
|
Thakur, Rajendra Singh |
|
2006 |
426 |
4-6 |
p. 459-463 5 p. |
artikel |
38 |
Testing LiAr interaction through the relaxation dynamics of lithium doped argon matrices: Intermediate energy barrier of the C2Σ+ state
|
Martínez-Mesa, A. |
|
2006 |
426 |
4-6 |
p. 318-323 6 p. |
artikel |
39 |
Tests of MULTIMODE calculations of rovibrational energies of CH4
|
Wu, Jiayan |
|
2006 |
426 |
4-6 |
p. 285-289 5 p. |
artikel |
40 |
The dipole moment and molecular properties of CaH: A theoretical study
|
Holka, Filip |
|
2006 |
426 |
4-6 |
p. 252-256 5 p. |
artikel |
41 |
The effects of γ-radiation on LiCoO2
|
Ding, N. |
|
2006 |
426 |
4-6 |
p. 324-328 5 p. |
artikel |
42 |
The initial mechanisms of Al2O3 atomic layer deposition on OH/Si(100)-2×1 surface by tri-methylaluminum and water
|
Ghosh, Manik Kumer |
|
2006 |
426 |
4-6 |
p. 365-369 5 p. |
artikel |
43 |
Theoretical study of subporphyrins
|
Pichierri, Fabio |
|
2006 |
426 |
4-6 |
p. 410-414 5 p. |
artikel |
44 |
The photophysics of some UV-MALDI matrices studied by using spectroscopic, photoacoustic and luminescence techniques
|
Mesaros, Mariana |
|
2006 |
426 |
4-6 |
p. 334-340 7 p. |
artikel |
45 |
Transport of a cell-sized phospholipid micro-container across water/oil interface
|
Hase, Masahiko |
|
2006 |
426 |
4-6 |
p. 441-444 4 p. |
artikel |
46 |
Treatment of non-nuclear attractors within the theory of atoms in molecules II: Energy decompositions
|
Alcoba, Diego R. |
|
2006 |
426 |
4-6 |
p. 426-430 5 p. |
artikel |
47 |
[Zn(C7H3O5N)] n · nH2O: A third-order NLO Zn coordination polymer with spiroconjugated structure
|
Zhou, Guo-Wei |
|
2006 |
426 |
4-6 |
p. 341-344 4 p. |
artikel |