| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution
|
Tongraar, Anan
|
|
2005
|
403 |
4-6 |
p. 314-319
6 p.
|
artikel
|
| 2 |
An investigation of alkane conformations based on the ABEEM/MM model
|
Zhang, Qiang
|
|
2005
|
403 |
4-6 |
p. 242-247
6 p.
|
artikel
|
| 3 |
Author index
|
|
|
2005
|
403 |
4-6 |
p. 425-432
8 p.
|
artikel
|
| 4 |
Calculation of acidity constants of pyridines in aqueous solution
|
Blanco, Sonia E.
|
|
2005
|
403 |
4-6 |
p. 400-404
5 p.
|
artikel
|
| 5 |
Collisional Removal of O 2 ( b 1 Σ g + , υ = 1 ) by O(3P)
|
Pejaković, Dušan A.
|
|
2005
|
403 |
4-6 |
p. 372-377
6 p.
|
artikel
|
| 6 |
Density functional computational thermochemistry: Accurate determination of the enthalpy of formation of perfluoropropane from DFT and ab initio calculations on isodesmic reactions
|
Ventura, Oscar N.
|
|
2005
|
403 |
4-6 |
p. 378-384
7 p.
|
artikel
|
| 7 |
Editorial board
|
|
|
2005
|
403 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 8 |
Electronic properties of rhenium, osmium and iridium dimers by density functional methods
|
Wu, Z.J.
|
|
2005
|
403 |
4-6 |
p. 367-371
5 p.
|
artikel
|
| 9 |
GeO2: Bi,M (M=Ga,B) glasses with super-wide infrared luminescence
|
Peng, Mingying
|
|
2005
|
403 |
4-6 |
p. 410-414
5 p.
|
artikel
|
| 10 |
Growth process of vertically aligned single-walled carbon nanotubes
|
Maruyama, Shigeo
|
|
2005
|
403 |
4-6 |
p. 320-323
4 p.
|
artikel
|
| 11 |
χ (2) Holography induced by all-optical poling
|
Tsutsumi, Naoto
|
|
2005
|
403 |
4-6 |
p. 420-424
5 p.
|
artikel
|
| 12 |
Hydrogenation effect on the structural transition of C60
|
Yi, Jae-Yel
|
|
2005
|
403 |
4-6 |
p. 359-362
4 p.
|
artikel
|
| 13 |
Hydrogen storage in spherical nanoporous carbons
|
Terrés, E.
|
|
2005
|
403 |
4-6 |
p. 363-366
4 p.
|
artikel
|
| 14 |
ICLAS-VeCSEL and FTS spectroscopies of C2H2 between 9000 and 9500cm−1
|
Campargue, Alain
|
|
2005
|
403 |
4-6 |
p. 287-292
6 p.
|
artikel
|
| 15 |
Ionization and fragmentation of anthracene with an intense femtosecond laser pulse at 1.4μm
|
Murakami, Masanao
|
|
2005
|
403 |
4-6 |
p. 238-241
4 p.
|
artikel
|
| 16 |
Large three-photon absorption cross-section in a novel class of bis-(N-carbazolyl) fluorene derivatives
|
Ma, Wenbo
|
|
2005
|
403 |
4-6 |
p. 405-409
5 p.
|
artikel
|
| 17 |
Light induced dynamic magnetochiral anisotropy
|
Rikken, G.L.J.A.
|
|
2005
|
403 |
4-6 |
p. 298-302
5 p.
|
artikel
|
| 18 |
Mass scaling for vibrational frequencies from ab initio calculations
|
Irikura, Karl K.
|
|
2005
|
403 |
4-6 |
p. 275-279
5 p.
|
artikel
|
| 19 |
MP2 static longitudinal (hyper)polarizabilities of polydifluoroacetylene
|
Torres, E.M.
|
|
2005
|
403 |
4-6 |
p. 268-274
7 p.
|
artikel
|
| 20 |
Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study
|
Pichierri, Fabio
|
|
2005
|
403 |
4-6 |
p. 252-256
5 p.
|
artikel
|
| 21 |
Observation of a fifth order optical nonlinearity in 29kDa Au@alkanethiol clusters excited in the visible
|
Thomas, Jinto
|
|
2005
|
403 |
4-6 |
p. 308-313
6 p.
|
artikel
|
| 22 |
Observation of electromagnetically induced transparency in two-photon transitions of 39K2
|
Li, Li
|
|
2005
|
403 |
4-6 |
p. 262-267
6 p.
|
artikel
|
| 23 |
On the principle of maximum overlap in valence bond theory
|
Magnasco, Valerio
|
|
2005
|
403 |
4-6 |
p. 303-307
5 p.
|
artikel
|
| 24 |
Photochemistry of p-toluidine in a low-temperature argon matrix. Infrared spectrum and geometrical structure of 4-methylanilino radical
|
Akai, Nobuyuki
|
|
2005
|
403 |
4-6 |
p. 390-395
6 p.
|
artikel
|
| 25 |
Photodissociation dynamics from quantum–classical density matrix calculations
|
Thorndyke, Brian
|
|
2005
|
403 |
4-6 |
p. 280-286
7 p.
|
artikel
|
| 26 |
Photoluminescence and photoconductance in annealed ZnO thin films
|
Ghosh, R.
|
|
2005
|
403 |
4-6 |
p. 415-419
5 p.
|
artikel
|
| 27 |
Photoluminescence study of the planar polymers of C60 at high pressure
|
Meletov, K.P.
|
|
2005
|
403 |
4-6 |
p. 338-342
5 p.
|
artikel
|
| 28 |
Probing electronic and vibrational properties at the electrochemical interface using SFG spectroscopy: Methanol electro-oxidation on Pt(110)
|
Vidal, F.
|
|
2005
|
403 |
4-6 |
p. 324-328
5 p.
|
artikel
|
| 29 |
Selective fabrication of metastable greigite (Fe3S4) nanocrystallites and its magnetic properties through a simple solution-based route
|
Chen, Xiangying
|
|
2005
|
403 |
4-6 |
p. 396-399
4 p.
|
artikel
|
| 30 |
Sensitivity enhancement of MQMAS NMR spectra of spin 3/2 nuclei using hyperbolic secant pulses
|
Siegel, Renée
|
|
2005
|
403 |
4-6 |
p. 353-358
6 p.
|
artikel
|
| 31 |
Sidewall functionalization of single-walled carbon nanotubes through CF4 plasma treatment and subsequent reaction with aliphatic amines
|
Valentini, L.
|
|
2005
|
403 |
4-6 |
p. 385-389
5 p.
|
artikel
|
| 32 |
Spontaneous Raman measurements of acetylene in atmospheric-pressure methane/air flames
|
Mokhov, A.V.
|
|
2005
|
403 |
4-6 |
p. 233-237
5 p.
|
artikel
|
| 33 |
The inelastic neutron scattering spectra of α-3-amino-5-nitro-1,2,4-2H-triazole: Experiment and DFT calculations
|
Ciezak, Jennifer A.
|
|
2005
|
403 |
4-6 |
p. 329-333
5 p.
|
artikel
|
| 34 |
The mechanism of electron–cation geminate recombination in liquid isooctane
|
Zhang, Tieqiao
|
|
2005
|
403 |
4-6 |
p. 257-261
5 p.
|
artikel
|
| 35 |
The photodetachment dynamics of Cl 2 - in mono and bichromatic fields: Analysis based on a multistate mean field approach
|
Maji, Kaushik
|
|
2005
|
403 |
4-6 |
p. 347-352
6 p.
|
artikel
|
| 36 |
Universality in polymer solutions from intrinsic viscosity as a Lorentz factor
|
Mezzasalma, Stefano A.
|
|
2005
|
403 |
4-6 |
p. 334-337
4 p.
|
artikel
|
| 37 |
Van der Waals interactions between two parallel infinitely long single-walled nanotubes
|
Sun, Cheng-Hua
|
|
2005
|
403 |
4-6 |
p. 343-346
4 p.
|
artikel
|
| 38 |
White polymer light-emitting devices from ternary-polymer blend with concentration gradient
|
Park, Jong Hyeok
|
|
2005
|
403 |
4-6 |
p. 293-297
5 p.
|
artikel
|
| 39 |
ZnO nanowire and amorphous diamond nanocomposites and field emission enhancement
|
Yang, Y.H.
|
|
2005
|
403 |
4-6 |
p. 248-251
4 p.
|
artikel
|
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