| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio density functional theory for spin-polarized systems
|
Bokhan, Denis
|
|
2006
|
427 |
4-6 |
p. 466-471
6 p.
|
artikel
|
| 2 |
Ab initio study of the toluene dimer
|
Rogers, David M.
|
|
2006
|
427 |
4-6 |
p. 410-413
4 p.
|
artikel
|
| 3 |
A computational study of the interaction of light with silver nanowires of different eccentricity
|
Oliva, Josep M.
|
|
2006
|
427 |
4-6 |
p. 383-389
7 p.
|
artikel
|
| 4 |
A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins
|
Atanasov, Mihail
|
|
2006
|
427 |
4-6 |
p. 449-454
6 p.
|
artikel
|
| 5 |
A molecular dynamics study of the carbon–catalyst interaction energy for multi-scale modelling of single wall carbon nanotube growth
|
Shibuta, Yasushi
|
|
2006
|
427 |
4-6 |
p. 365-370
6 p.
|
artikel
|
| 6 |
Assignment of the benzo-1,2:4,5-bis(1,3,2-dithiazolyl) ground state using the broken symmetry technique
|
Mattar, Saba M.
|
|
2006
|
427 |
4-6 |
p. 438-442
5 p.
|
artikel
|
| 7 |
Author Index
|
|
|
2006
|
427 |
4-6 |
p. 472-480
9 p.
|
artikel
|
| 8 |
Contents
|
|
|
2006
|
427 |
4-6 |
p. iii-xiv
nvt p.
|
artikel
|
| 9 |
DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O
|
Gracia, L.
|
|
2006
|
427 |
4-6 |
p. 265-270
6 p.
|
artikel
|
| 10 |
Distance information from proton-driven spin diffusion under MAS
|
Grommek, Andreas
|
|
2006
|
427 |
4-6 |
p. 404-409
6 p.
|
artikel
|
| 11 |
Diversity in free energy landscape and folding pathway of proteins with the same native topology
|
Kenzaki, Hiroo
|
|
2006
|
427 |
4-6 |
p. 414-417
4 p.
|
artikel
|
| 12 |
Does the radiationless relaxation of Soret-excited metalloporphyrins follow the energy gap law?
|
Velate, Suresh
|
|
2006
|
427 |
4-6 |
p. 295-299
5 p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
2006
|
427 |
4-6 |
p. CO2-
1 p.
|
artikel
|
| 14 |
Efficient optical materials based on fluorinated-polymeric silica aerogels
|
García, O.
|
|
2006
|
427 |
4-6 |
p. 375-378
4 p.
|
artikel
|
| 15 |
Estimation of τ value in proton NMR relaxation times of dibenzo diaza 18-crown-6 ether derivative in solution
|
Yılmaz, Ali
|
|
2006
|
427 |
4-6 |
p. 346-349
4 p.
|
artikel
|
| 16 |
Evidence for mesoscopic local structures in ionic liquids: CARS signal spatial distribution of C n mim[PF6] (n =4,6,8)
|
Shigeto, Shinsuke
|
|
2006
|
427 |
4-6 |
p. 329-332
4 p.
|
artikel
|
| 17 |
Explicit and GB/SA solvents: Each with two different force fields in multicanonical conformational sampling of a 25-residue polypeptide
|
Mitomo, Daisuke
|
|
2006
|
427 |
4-6 |
p. 399-403
5 p.
|
artikel
|
| 18 |
External electric field effects on fluorescence of perylene doped in a polymer film
|
Ara, Anjue Mane
|
|
2006
|
427 |
4-6 |
p. 322-328
7 p.
|
artikel
|
| 19 |
Ferromagnetic exchange coupling in a spiro-fused dinuclear nickel(II) complex with an approximate D2d symmetry
|
Okazawa, Atsushi
|
|
2006
|
427 |
4-6 |
p. 333-337
5 p.
|
artikel
|
| 20 |
Formation and growth mechanism of tungsten oxide microtubules
|
Wang, Shiliang
|
|
2006
|
427 |
4-6 |
p. 350-355
6 p.
|
artikel
|
| 21 |
FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical
|
Li, Shuping
|
|
2006
|
427 |
4-6 |
p. 276-280
5 p.
|
artikel
|
| 22 |
Growth of single crystalline Zn x Cd1−x S nanocombs by metallo-organic chemical vapor deposition
|
Zhai, Tianyou
|
|
2006
|
427 |
4-6 |
p. 371-374
4 p.
|
artikel
|
| 23 |
Intact molecular ion formation of cyclohexane and 2,3-dimethyl-1,3-butadiene by excitation with a short, intense femtosecond laser pulse
|
Tanaka, Michinori
|
|
2006
|
427 |
4-6 |
p. 255-258
4 p.
|
artikel
|
| 24 |
Local structure and assembly of formate adsorbed on Ni(110): Low temperature scanning tunneling microscopy study
|
Katano, Satoshi
|
|
2006
|
427 |
4-6 |
p. 379-382
4 p.
|
artikel
|
| 25 |
Low temperature behaviour of collisions between antiprotonic helium and hydrogenic molecules and an indication of the Wigner threshold law
|
Juhász, B.
|
|
2006
|
427 |
4-6 |
p. 246-250
5 p.
|
artikel
|
| 26 |
Metal-enhanced phosphorescence (MEP)
|
Zhang, Yongxia
|
|
2006
|
427 |
4-6 |
p. 432-437
6 p.
|
artikel
|
| 27 |
Mild oxygen plasma treated PEDOT:PSS as anode buffer layer for vacuum deposited organic light-emitting diodes
|
Zhou, Yunfei
|
|
2006
|
427 |
4-6 |
p. 394-398
5 p.
|
artikel
|
| 28 |
Nucleophilicity scale for n- and π-nucleophiles
|
Jaramillo, Paula
|
|
2006
|
427 |
4-6 |
p. 421-425
5 p.
|
artikel
|
| 29 |
Particle emission from polymer-doped water ice matrices induced by non-linear absorption of laser light at 1064nm
|
Purice, Andreea
|
|
2006
|
427 |
4-6 |
p. 251-254
4 p.
|
artikel
|
| 30 |
Phase manipulation of continuum generation and stimulated Raman scattering in ethanol
|
Barman, Anjan
|
|
2006
|
427 |
4-6 |
p. 317-321
5 p.
|
artikel
|
| 31 |
Phosphorous atom induced intramolecular charge transfer fluorescence in 9-diphenylphosphinophenanthrene
|
Osawa, Masahisa
|
|
2006
|
427 |
4-6 |
p. 338-342
5 p.
|
artikel
|
| 32 |
Photoinduced phase transition of the tetrafluoroborate salt of bis(N,N-diethylethylenediamine)copper(II)
|
Naumov, Panče
|
|
2006
|
427 |
4-6 |
p. 343-345
3 p.
|
artikel
|
| 33 |
Probing recombination-rate distribution in organic light-emitting devices with mixed-emitter structure
|
Hsiao, Chih-Hung
|
|
2006
|
427 |
4-6 |
p. 305-309
5 p.
|
artikel
|
| 34 |
Production of the radicals in the ozonolysis of ethene: A chamber study by FT-IR and PERCA
|
Qi, Bin
|
|
2006
|
427 |
4-6 |
p. 461-465
5 p.
|
artikel
|
| 35 |
Relativistic calculation of NMR properties of XeF2, XeF4 and XeF6
|
Antušek, Andrej
|
|
2006
|
427 |
4-6 |
p. 281-288
8 p.
|
artikel
|
| 36 |
Resonant optical excitation of the I2 ion-pair states through the RgI2 complexes in the valence states correlating to the 2P1/2 + 2P1/2 limit
|
Akopyan, M.E.
|
|
2006
|
427 |
4-6 |
p. 259-264
6 p.
|
artikel
|
| 37 |
Self-aggregation as a source of chiral discrimination
|
Alkorta, Ibon
|
|
2006
|
427 |
4-6 |
p. 289-294
6 p.
|
artikel
|
| 38 |
Solid-state proton transfer studies on phototautomerization of 1-phenyl-3-methyl-4-furoyl-5-pyrazolone 4-methyl thiosemicarbazone
|
Zhang, Tao
|
|
2006
|
427 |
4-6 |
p. 443-448
6 p.
|
artikel
|
| 39 |
Solubility of (NH4)2SiF6, K2SiF6 and Na2SiF6 in acidic solutions
|
Frayret, Jérôme
|
|
2006
|
427 |
4-6 |
p. 356-364
9 p.
|
artikel
|
| 40 |
Surface transformation of carbon nanotube powder into super-hydrophobic and measurement of wettability
|
Hong, Yong Cheol
|
|
2006
|
427 |
4-6 |
p. 390-393
4 p.
|
artikel
|
| 41 |
Terahertz (THz) spectroscopy of Freon-11 (CCl3F, CFC-11) at room temperature
|
Altan, H.
|
|
2006
|
427 |
4-6 |
p. 241-245
5 p.
|
artikel
|
| 42 |
Theoretical study of activation CO bond of CH3OCH3 by Ti+ in the gas phase
|
Wang, Yong-Cheng
|
|
2006
|
427 |
4-6 |
p. 271-275
5 p.
|
artikel
|
| 43 |
The role of charge-enhanced C–H⋯O interactions in gel-like mixtures prepared from ionic liquids and tungsten(VI) oxide nanoparticles
|
Chang, Hai-Chou
|
|
2006
|
427 |
4-6 |
p. 310-316
7 p.
|
artikel
|
| 44 |
Three new defined proton affinities for polybasic molecules in the gas-phase: Proton microaffinity, proton macroaffinity and proton overallaffinity
|
Salehzadeh, Sadegh
|
|
2006
|
427 |
4-6 |
p. 455-460
6 p.
|
artikel
|
| 45 |
Tracking three-dimensional magnetization trajectories by the radiation damping feedback field for differential spin control
|
Scamman, Eric W.
|
|
2006
|
427 |
4-6 |
p. 426-431
6 p.
|
artikel
|
| 46 |
Vibrational spectra of crystalline hydrates of atmospheric relevance: Bands of hydrated protons
|
Martı´n-Llorente, Beatriz
|
|
2006
|
427 |
4-6 |
p. 300-304
5 p.
|
artikel
|
| 47 |
Vindicating the Pauling-bond-order concept
|
Sedlar, Jelena
|
|
2006
|
427 |
4-6 |
p. 418-420
3 p.
|
artikel
|
Tijdschrift beschrijving