| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative density functional study of the torsional potential of 4-fluoro (trifluoromethoxy)benzene and related species
|
Kieninger, Martina
|
|
2004
|
389 |
4-6 |
p. 405-412
8 p.
|
artikel
|
| 2 |
A comparative study of Kohn–Sham, Brueckner and Hartree–Fock orbitals
|
Jankowski, K.
|
|
2004
|
389 |
4-6 |
p. 393-399
7 p.
|
artikel
|
| 3 |
A computational study of the weakly bound dimers XBeH⋯HArF (X=H, F, Cl and Br)
|
Solimannejad, Mohammad
|
|
2004
|
389 |
4-6 |
p. 359-362
4 p.
|
artikel
|
| 4 |
A connectivity table for cluster similarity checking in the evolutionary optimization method
|
Cheng, Longjiu
|
|
2004
|
389 |
4-6 |
p. 309-314
6 p.
|
artikel
|
| 5 |
A DFT study for the coadsorption of Na and NO on TiO2(110) surface
|
Ding, Kainig
|
|
2004
|
389 |
4-6 |
p. 255-260
6 p.
|
artikel
|
| 6 |
Author index
|
|
|
2004
|
389 |
4-6 |
p. 450-457
8 p.
|
artikel
|
| 7 |
Changes in excitation profiles of surface-enhanced resonance Raman scattering induced by changes in surface plasmon resonance of single Ag nano-aggregates
|
Itoh, Tamitake
|
|
2004
|
389 |
4-6 |
p. 225-229
5 p.
|
artikel
|
| 8 |
Complex-band structure: a method to determine the off-resonant electron transport in oligomers
|
Fagas, Giorgos
|
|
2004
|
389 |
4-6 |
p. 268-273
6 p.
|
artikel
|
| 9 |
Cyclic and bent electronic states of the N3 + ion
|
Tarroni, Riccardo
|
|
2004
|
389 |
4-6 |
p. 274-278
5 p.
|
artikel
|
| 10 |
Doubly contracted CI method
|
Wang, Yubin
|
|
2004
|
389 |
4-6 |
p. 315-320
6 p.
|
artikel
|
| 11 |
Editorial board
|
|
|
2004
|
389 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 12 |
Effect of oxygen chemisorption on the energy band gap of a chiral semiconducting single-walled carbon nanotube
|
Barone, Verónica
|
|
2004
|
389 |
4-6 |
p. 289-292
4 p.
|
artikel
|
| 13 |
Efficient focusing of hard X-rays generated by femtosecond laser driven plasma
|
Tomov, I.V.
|
|
2004
|
389 |
4-6 |
p. 363-366
4 p.
|
artikel
|
| 14 |
Erratum to: `Ultrafast relaxation dynamics of charge carriers relaxation in ZnO nanocrystalline thin films' [Chem. Phys. Lett. 387 (2004) 176–181]
|
Bauer, Christophe
|
|
2004
|
389 |
4-6 |
p. 449-
1 p.
|
artikel
|
| 15 |
Experimental chloride ion affinities and theoretical predictions for the absolute heats of formation of SiCl2 and SiClF
|
Poutsma, John C
|
|
2004
|
389 |
4-6 |
p. 433-437
5 p.
|
artikel
|
| 16 |
Femtosecond dynamics of electron photodetachment of the fluoride anion in liquid water
|
Iglev, H.
|
|
2004
|
389 |
4-6 |
p. 427-432
6 p.
|
artikel
|
| 17 |
Gauge invariance of oscillator strengths in the approximate coupled cluster triples model CC3
|
Pawłowski, Filip
|
|
2004
|
389 |
4-6 |
p. 413-420
8 p.
|
artikel
|
| 18 |
Hystereses of volume changes in liquid single crystal elastomers swollen with low molecular weight liquid crystal
|
Yusuf, Yusril
|
|
2004
|
389 |
4-6 |
p. 443-448
6 p.
|
artikel
|
| 19 |
Interstitial nanopore change of single wall carbon nanohorn assemblies with high temperature treatment
|
Ohba, T.
|
|
2004
|
389 |
4-6 |
p. 332-336
5 p.
|
artikel
|
| 20 |
Ion–molecule reactions of W+ and WO+: new and improved values for IE(WO), D298(W+–O), D298(W–O) and ΔfH0 298(WO)
|
Blagojevic, Voislav
|
|
2004
|
389 |
4-6 |
p. 303-308
6 p.
|
artikel
|
| 21 |
Kinetics of C2 (a 3 Π u ) reactions with sulfur containing molecules
|
Huang, Cunshun
|
|
2004
|
389 |
4-6 |
p. 230-235
6 p.
|
artikel
|
| 22 |
Mimicking electrostatic interactions with a set of effective charges: a genetic algorithm
|
Berardi, Roberto
|
|
2004
|
389 |
4-6 |
p. 373-378
6 p.
|
artikel
|
| 23 |
Molecular calculations with two-center correlated orbitals
|
Scully, Marlan O.
|
|
2004
|
389 |
4-6 |
p. 385-392
8 p.
|
artikel
|
| 24 |
Negative electric field dependence of charge carrier drift mobility in conjugated, semiconducting polymers
|
Mozer, Attila J.
|
|
2004
|
389 |
4-6 |
p. 438-442
5 p.
|
artikel
|
| 25 |
Nuclear degrees of freedom in calculated isotropic hyperfine coupling constants of the ethyl radical: a Feynman path integral – ab initio study
|
Schulte, Joachim
|
|
2004
|
389 |
4-6 |
p. 367-372
6 p.
|
artikel
|
| 26 |
Optical limiting and enhanced optical nonlinearity in boron-doped carbon nanotubes
|
Xu, Jianfeng
|
|
2004
|
389 |
4-6 |
p. 247-250
4 p.
|
artikel
|
| 27 |
Order of Coulomb and Fermi pairs: application in a π-system
|
Karafiloglou, Padeleimon
|
|
2004
|
389 |
4-6 |
p. 400-404
5 p.
|
artikel
|
| 28 |
Orientational ordering of alkyl chain at the air/liquid interface of ionic liquids studied by sum frequency vibrational spectroscopy
|
Iimori, Toshifumi
|
|
2004
|
389 |
4-6 |
p. 321-326
6 p.
|
artikel
|
| 29 |
Photodissociation of gaseous metal ion–nucleobase complexes: Mg+-uracil and Mg+-thymine
|
Liu, Haichuan
|
|
2004
|
389 |
4-6 |
p. 342-347
6 p.
|
artikel
|
| 30 |
Photoelectron spectroscopy and density functional theory calculation of Na n (CS2)− cluster negative ions for n=1 and 2
|
Misaizu, Fuminori
|
|
2004
|
389 |
4-6 |
p. 241-246
6 p.
|
artikel
|
| 31 |
Photoelectron spectroscopy of pyrene cluster anions, (pyrene) n − (n=1–20)
|
Ando, Naoto
|
|
2004
|
389 |
4-6 |
p. 279-283
5 p.
|
artikel
|
| 32 |
Prediction of a threshold density of atomic hydrogen for nanocrystalline diamond growth at low pressures
|
Teii, Kungen
|
|
2004
|
389 |
4-6 |
p. 251-254
4 p.
|
artikel
|
| 33 |
Pump–probe lifetime measurements on singlet ungerade states in molecular nitrogen
|
Sprengers, J.P.
|
|
2004
|
389 |
4-6 |
p. 348-351
4 p.
|
artikel
|
| 34 |
Quantum-chemical and experimental kinetical investigation of the porphyrin diacids: role of the counterions in non-radiative deactivation of the excited electronic states
|
Avilov, I.V.
|
|
2004
|
389 |
4-6 |
p. 352-358
7 p.
|
artikel
|
| 35 |
Recombination of geminate (OH,eaq −) pairs in concentrated alkaline solutions: lack of evidence for hydroxyl radical deprotonation
|
Lian, Rui
|
|
2004
|
389 |
4-6 |
p. 379-384
6 p.
|
artikel
|
| 36 |
Semi-empirical calculation of second Kerr-effect virial coefficients of atoms and small molecules
|
Hohm, Uwe
|
|
2004
|
389 |
4-6 |
p. 293-297
5 p.
|
artikel
|
| 37 |
Simulation of hydrated Li+-, Na+- and K+-montmorillonite/polymer nanocomposites using large-scale molecular dynamics
|
Boulet, Pascal
|
|
2004
|
389 |
4-6 |
p. 261-267
7 p.
|
artikel
|
| 38 |
Structures and defects of WO3−x nanorods grown by in-situ heating tungsten filament
|
Zhang, Huairuo
|
|
2004
|
389 |
4-6 |
p. 337-341
5 p.
|
artikel
|
| 39 |
Surface-enhanced Raman scattering of thiourea adsorbed on the silver electrode: bond polarizability derivatives as elucidated from the Raman intensities
|
Liu, Zhaojun
|
|
2004
|
389 |
4-6 |
p. 298-302
5 p.
|
artikel
|
| 40 |
Surface topographical changes and chemical wave patterns in catalytic CO oxidation on Pt(110)
|
Wei, Han
|
|
2004
|
389 |
4-6 |
p. 284-288
5 p.
|
artikel
|
| 41 |
The geometrical isotope effect of C–H⋯O type hydrogen bonds revealed by multi-component molecular orbital calculation
|
Udagawa, T.
|
|
2004
|
389 |
4-6 |
p. 236-240
5 p.
|
artikel
|
| 42 |
Theoretical study of incorporating 6-thioguanine into a guanine tetrad and their influence on the metal ion–guanine tetrad
|
Meng, Fancui
|
|
2004
|
389 |
4-6 |
p. 421-426
6 p.
|
artikel
|
| 43 |
The unusual electrochemical characteristics of a novel three-dimensional ordered bicontinuous mesoporous carbon
|
Wang, Tao
|
|
2004
|
389 |
4-6 |
p. 327-331
5 p.
|
artikel
|
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