nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio investigation of the atomic charges in the KcsA channel selectivity filter
|
Compoint, Mylène |
|
2004 |
397 |
4-6 |
p. 510-515 6 p. |
artikel |
2 |
Ab initio investigation of the O–Y (Y=CH3, H) insertion/HI elimination reactions of CH2I–I with CH3OH and H2O: comparison of methanol and water catalyzed reactions
|
Lin, Xufeng |
|
2004 |
397 |
4-6 |
p. 488-494 7 p. |
artikel |
3 |
Acidity characterization of tungstophosphoric acid supported MCM-41 materials using laser induced fluorescence spectroscopy
|
El-Rayyes, Ali A. |
|
2004 |
397 |
4-6 |
p. 484-487 4 p. |
artikel |
4 |
A control on the photoluminescence properties in P-passivated nanocrystalline ZnO films
|
Chen, S.J. |
|
2004 |
397 |
4-6 |
p. 360-363 4 p. |
artikel |
5 |
An investigation into the influence of secondary structures on DNA hybridization using surface plasmon resonance biosensing
|
Chien, Fan-Ching |
|
2004 |
397 |
4-6 |
p. 429-434 6 p. |
artikel |
6 |
Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals
|
Zbiri, Mohamed |
|
2004 |
397 |
4-6 |
p. 441-446 6 p. |
artikel |
7 |
Applications of the Liu–Parr–Nagy identity to the spin density calculations
|
Morihashi, Kenji |
|
2004 |
397 |
4-6 |
p. 462-468 7 p. |
artikel |
8 |
A structural study of very high-density amorphous ice
|
Guthrie, Malcolm |
|
2004 |
397 |
4-6 |
p. 335-339 5 p. |
artikel |
9 |
A theoretical study of the dispersion-bound silane–methane dimer
|
Johnson, E.R. |
|
2004 |
397 |
4-6 |
p. 314-318 5 p. |
artikel |
10 |
Author index
|
|
|
2004 |
397 |
4-6 |
p. 527-536 10 p. |
artikel |
11 |
Broadband visible emissions from sol–gel-derived silica/poly(vinyl pyrrolidone) hybrids
|
Fujihara, Shinobu |
|
2004 |
397 |
4-6 |
p. 479-483 5 p. |
artikel |
12 |
Calculated geometry and paramagnetic hyperfine structure of the Cu7 cluster
|
Arratia-Pérez, Ramiro |
|
2004 |
397 |
4-6 |
p. 408-411 4 p. |
artikel |
13 |
Consistent charge equilibration (CQEq) method: application to amino acids and crambin protein
|
Ogawa, Tetsuji |
|
2004 |
397 |
4-6 |
p. 382-387 6 p. |
artikel |
14 |
Dynamics of solvation and rotational relaxation of Coumarin 153 in 1-butyl-3-methylimidazolium hexafluorophosphate [bmim][PF6]–water mixtures
|
Chakrabarty, Debdeep |
|
2004 |
397 |
4-6 |
p. 469-474 6 p. |
artikel |
15 |
Editorial board
|
|
|
2004 |
397 |
4-6 |
p. IFC- 1 p. |
artikel |
16 |
Effect of out-of-plane vibration on the hydrogen atom transfer reaction in malonaldehyde
|
Yagi, Kiyoshi |
|
2004 |
397 |
4-6 |
p. 435-440 6 p. |
artikel |
17 |
Emission and absorption of Ir(ppy)2(CO)(Cl) – temperature dependence, phosphorescence decay dynamics, and assignment of excited states
|
Finkenzeller, W.J. |
|
2004 |
397 |
4-6 |
p. 289-295 7 p. |
artikel |
18 |
Energy level structure and potential energy curve of the C 0 u + state of Ne2 by high-resolution VUV laser spectroscopy
|
Wüest, A. |
|
2004 |
397 |
4-6 |
p. 344-353 10 p. |
artikel |
19 |
Fast QM/MM method and its application to molecular systems
|
Walewski, Ł. |
|
2004 |
397 |
4-6 |
p. 451-458 8 p. |
artikel |
20 |
Fragmentation of proline induced by slow electrons
|
Abdoul-Carime, H. |
|
2004 |
397 |
4-6 |
p. 309-313 5 p. |
artikel |
21 |
Free internal rotation in CH3–CC–CF3
|
Blanco, Susana |
|
2004 |
397 |
4-6 |
p. 379-381 3 p. |
artikel |
22 |
Globally cohesive drops without interfacial tension
|
Nitsche, Ludwig C. |
|
2004 |
397 |
4-6 |
p. 417-421 5 p. |
artikel |
23 |
Gold coated M@Au12 nano-particles: assessment of different quantum chemical density functional approaches
|
Qiu, Yi-Xiang |
|
2004 |
397 |
4-6 |
p. 374-378 5 p. |
artikel |
24 |
Growth mechanisms of carbon nanotubes converted from diamond-like carbon films
|
Sarangi, D. |
|
2004 |
397 |
4-6 |
p. 516-519 4 p. |
artikel |
25 |
Impurity effect on charge carrier transport in smectic liquid crystals
|
Funahashi, Masahiro |
|
2004 |
397 |
4-6 |
p. 319-323 5 p. |
artikel |
26 |
Influence of energy transfer on fluorescence and lasing properties of various laser dyes co-doped in ORMOSILs
|
Su, Deliang |
|
2004 |
397 |
4-6 |
p. 397-401 5 p. |
artikel |
27 |
In2O3 nanowires, nanobouquets and nanotrees
|
Kam, Kinson C. |
|
2004 |
397 |
4-6 |
p. 329-334 6 p. |
artikel |
28 |
Interaction of glycine with ice nanolayers
|
Tzvetkov, G. |
|
2004 |
397 |
4-6 |
p. 392-396 5 p. |
artikel |
29 |
Kinetics of the Diels–Alder reaction between C60 and acenes
|
Sarova, Ginka H. |
|
2004 |
397 |
4-6 |
p. 402-407 6 p. |
artikel |
30 |
Local impurity-phase generation in laser irradiated Li x Co0.9Ga0.1O2
|
Lemos, V. |
|
2004 |
397 |
4-6 |
p. 520-526 7 p. |
artikel |
31 |
Microscopic description of a liquid–vapor interface by an inhomogeneous integral equation theory
|
Omelyan, Igor |
|
2004 |
397 |
4-6 |
p. 368-373 6 p. |
artikel |
32 |
New efficient multi-level electronic structure methods (MLSEn) for atomization energies and reaction energy barriers
|
Li, Tsung-Hui |
|
2004 |
397 |
4-6 |
p. 364-367 4 p. |
artikel |
33 |
On the distribution of π-electrons in large polycyclic aromatic hydrocarbons
|
Gutman, Ivan |
|
2004 |
397 |
4-6 |
p. 412-416 5 p. |
artikel |
34 |
Optical characterization of DNA-wrapped carbon nanotube hybrids
|
Chou, S.G. |
|
2004 |
397 |
4-6 |
p. 296-301 6 p. |
artikel |
35 |
Quantum-chemical studies of the spin transition complex [Fe(DAPP)(abpt)](ClO4)2
|
Zein, Samir |
|
2004 |
397 |
4-6 |
p. 475-478 4 p. |
artikel |
36 |
Real-time observation of metastable polymeric species formed from precursor soot
|
Rodgers, Ryan P. |
|
2004 |
397 |
4-6 |
p. 324-328 5 p. |
artikel |
37 |
Resolving chemical shift spectra with a low-field NMR relaxometer
|
Grunin, L. |
|
2004 |
397 |
4-6 |
p. 306-308 3 p. |
artikel |
38 |
Separation of the integrals of partially resolved doublets based on chemical shift evolution using non-selective RF pulses
|
Gowda, G.A. Nagana |
|
2004 |
397 |
4-6 |
p. 388-391 4 p. |
artikel |
39 |
Strong erbium luminescence in the near-infrared telecommunication window
|
Van Deun, Rik |
|
2004 |
397 |
4-6 |
p. 447-450 4 p. |
artikel |
40 |
The formation of low-dimensional chiral inorganic nanotubes by filling single-walled carbon nanotubes
|
Wilson, Mark |
|
2004 |
397 |
4-6 |
p. 340-343 4 p. |
artikel |
41 |
Theoretical investigation on the one- and two-photon absorption properties of multi-branched oligomers with truxenone center and fluorene branches
|
Zhou, Xin |
|
2004 |
397 |
4-6 |
p. 500-509 10 p. |
artikel |
42 |
Theoretical study of the formation of the α-cyclodextrin hexahydrate
|
Nascimento Jr., Clebio S. |
|
2004 |
397 |
4-6 |
p. 422-428 7 p. |
artikel |
43 |
The role of surface elasticity in giant corrugations observed by scanning tunneling microscopes
|
Hofer, W.A. |
|
2004 |
397 |
4-6 |
p. 354-359 6 p. |
artikel |
44 |
The static dipole polarizability of aluminium atom: discrepancy between theory and experiment
|
Fuentealba, P. |
|
2004 |
397 |
4-6 |
p. 459-461 3 p. |
artikel |
45 |
The study of the sublimable six-coordinated aluminum quinolate with sulfonamide substitutents
|
Cheng, Jung-An |
|
2004 |
397 |
4-6 |
p. 302-305 4 p. |
artikel |
46 |
Vibrational spectrum and ab initio calculations of m-xylene
|
Zhang, Song |
|
2004 |
397 |
4-6 |
p. 495-499 5 p. |
artikel |