| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the HCCO+NO2 reaction
|
Meyer, Justin P.
|
|
2006
|
325 |
2-3 |
p. 545-553
9 p.
|
artikel
|
| 2 |
A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids
|
Bamdad, M.
|
|
2006
|
325 |
2-3 |
p. 554-562
9 p.
|
artikel
|
| 3 |
A quantum chemical ab initio study of the polymerization to polyhydridophosphazenes
|
Fondermann, Rebecca
|
|
2006
|
325 |
2-3 |
p. 291-298
8 p.
|
artikel
|
| 4 |
Calculation of hydrogen’s thermal conductivity at moderate and high densities
|
Behnejad, H.
|
|
2006
|
325 |
2-3 |
p. 351-358
8 p.
|
artikel
|
| 5 |
Characterization of triblock copolymer E67S15E67–surfactant interactions
|
Castro, Emilio
|
|
2006
|
325 |
2-3 |
p. 492-498
7 p.
|
artikel
|
| 6 |
Chemical effects on the satellite lines of sulfur Kβ X-ray emission spectra
|
Torres Deluigi, M.
|
|
2006
|
325 |
2-3 |
p. 472-476
5 p.
|
artikel
|
| 7 |
Compartmental modeling in photophysics: Identifiability of models for intramolecular three-state excited-state processes
|
Boens, Noël
|
|
2006
|
325 |
2-3 |
p. 461-471
11 p.
|
artikel
|
| 8 |
Correlation of PEO conformations and solvation in PEO–NaSCN polymer electrolytes
|
Wang, Jianji
|
|
2006
|
325 |
2-3 |
p. 538-544
7 p.
|
artikel
|
| 9 |
Dependence with the oxidation state of X-ray transition energies, intensities and natural line widths of CrKβ spectra
|
Torres Deluigi, M.
|
|
2006
|
325 |
2-3 |
p. 477-484
8 p.
|
artikel
|
| 10 |
DFT derived solvation models for organic compounds in alkane solvents
|
Delgado, Eduardo J.
|
|
2006
|
325 |
2-3 |
p. 220-224
5 p.
|
artikel
|
| 11 |
Effect of proton transfer on the electronic coupling in DNA
|
Rak, Janusz
|
|
2006
|
325 |
2-3 |
p. 567-574
8 p.
|
artikel
|
| 12 |
Femtosecond spectroscopic study of carminic acid–DNA interactions
|
Comanici, Radu
|
|
2006
|
325 |
2-3 |
p. 509-518
10 p.
|
artikel
|
| 13 |
First infrared spectroscopic characterization of digermyl (Ge2H5) and d5-digermyl (Ge2D5) radicals in low temperature germane matrices
|
Carrier, William
|
|
2006
|
325 |
2-3 |
p. 499-508
10 p.
|
artikel
|
| 14 |
First-principles study of lithium adsorption on Si(100)2×1 and Ge(100)2×1 surface at 1.0 monolayer coverage
|
Wang, Z.G.
|
|
2006
|
325 |
2-3 |
p. 525-530
6 p.
|
artikel
|
| 15 |
Generalized diatomics-in-molecule method applied to the H 3 - anion
|
Belyaev, A.K.
|
|
2006
|
325 |
2-3 |
p. 378-388
11 p.
|
artikel
|
| 16 |
Hydrogenation of C60 at 2GPa pressure and high temperature
|
Talyzin, A.V.
|
|
2006
|
325 |
2-3 |
p. 445-451
7 p.
|
artikel
|
| 17 |
IFC
|
|
|
2006
|
325 |
2-3 |
p. CO2-
1 p.
|
artikel
|
| 18 |
Infrared vibrational spectra of tert-butyl halides in low-aluminum H-Y Faujasite: Vibrational excitation exchange and other effects of guest–host interactions
|
Fox, Jack D.
|
|
2006
|
325 |
2-3 |
p. 265-277
13 p.
|
artikel
|
| 19 |
Investigation of charge-carrier injection characteristics in NPB/Alq3 heterojunction devices
|
Chen, Jiangshan
|
|
2006
|
325 |
2-3 |
p. 225-230
6 p.
|
artikel
|
| 20 |
Magnetic property and theoretical study on a new one-dimensional coordination polymer [Co(μ1,3-SCN)(μ-MPyO)(SCN)(CH3OH)] n with mixed bridging ligands
|
Shi, Jing-Min
|
|
2006
|
325 |
2-3 |
p. 237-242
6 p.
|
artikel
|
| 21 |
Modelling of Kr n + clusters IV: Structural changes in Kr 3 + and Kr 4 +
|
Kalus, René
|
|
2006
|
325 |
2-3 |
p. 278-290
13 p.
|
artikel
|
| 22 |
Near-contact adiabatic suppression of electron transfer in the inverted region
|
Burshtein, A.I.
|
|
2006
|
325 |
2-3 |
p. 359-364
6 p.
|
artikel
|
| 23 |
Numerical evidence of Luttinger liquid behavior of potassium doped trans-polyacetylene chain of infinite length
|
Sen, Sabyasachi
|
|
2006
|
325 |
2-3 |
p. 231-236
6 p.
|
artikel
|
| 24 |
On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study
|
Casadesús, Ricard
|
|
2006
|
325 |
2-3 |
p. 243-250
8 p.
|
artikel
|
| 25 |
On the vibrations of linear C11: A coupled cluster study
|
Botschwina, Peter
|
|
2006
|
325 |
2-3 |
p. 485-491
7 p.
|
artikel
|
| 26 |
Photoinduced electron transfer in fullerene triads bearing pyrene and fluorene
|
Sandanayaka, Atula S.D.
|
|
2006
|
325 |
2-3 |
p. 452-460
9 p.
|
artikel
|
| 27 |
Photophysical studies of six amphiphilic 2:1 cyclodextrin:[60]fullerene derivatives
|
Quaranta, Annamaria
|
|
2006
|
325 |
2-3 |
p. 397-403
7 p.
|
artikel
|
| 28 |
Problems of coherent description of electron transfer reactions
|
Dodin, Dmitry V.
|
|
2006
|
325 |
2-3 |
p. 257-264
8 p.
|
artikel
|
| 29 |
Relaxation rate distribution from frequency or time dependent data
|
Aslani, F.
|
|
2006
|
325 |
2-3 |
p. 299-312
14 p.
|
artikel
|
| 30 |
Sb adsorption on Cu(110), (100), and (111) surfaces
|
Xiao, H.Y.
|
|
2006
|
325 |
2-3 |
p. 519-524
6 p.
|
artikel
|
| 31 |
Sodium and potassium salts of dichloroisocyanuric acid and their hydrates as antimicrobials agents studied by 35Cl-NQR spectroscopy and DFT calculations
|
Walczak, A.
|
|
2006
|
325 |
2-3 |
p. 429-436
8 p.
|
artikel
|
| 32 |
Spin–orbit coupling in the double exchange model 1. Antisymmetric double exchange in a valence-delocalized [Fe2.5+Fe2.5+] cluster
|
Belinsky, Moisey I.
|
|
2006
|
325 |
2-3 |
p. 313-325
13 p.
|
artikel
|
| 33 |
Spin–orbit coupling in the double exchange model 2. Comparison of the antisymmetric double exchange with the Dzialoshinsky–Moriya antisymmetric exchange, spin canting and ZFS
|
Belinsky, Moisey I.
|
|
2006
|
325 |
2-3 |
p. 326-340
15 p.
|
artikel
|
| 34 |
Subject Index
|
|
|
2006
|
325 |
2-3 |
p. 575-583
9 p.
|
artikel
|
| 35 |
The effect of perturbing gas density on the intensity distribution in rovibrational absorption bands
|
Vigasin, A.A.
|
|
2006
|
325 |
2-3 |
p. 404-410
7 p.
|
artikel
|
| 36 |
The nature of the S1/S0 conical intersection of fulvene
|
Deeb, Omar
|
|
2006
|
325 |
2-3 |
p. 251-256
6 p.
|
artikel
|
| 37 |
Theoretical and experimental studies on binding mode of 3,5-pyrazoledicarboxylic acid in its new La(III) complex
|
Peica, Niculina
|
|
2006
|
325 |
2-3 |
p. 411-421
11 p.
|
artikel
|
| 38 |
Theoretical and experimental studies on the molecular and electronic structures of cytisine and unsaturated keto-sparteines
|
Galasso, V.
|
|
2006
|
325 |
2-3 |
p. 365-377
13 p.
|
artikel
|
| 39 |
Theoretical and spectroscopic investigation of the oxidation and degradation of protocatechuic acid
|
Hatzipanayioti, Despina
|
|
2006
|
325 |
2-3 |
p. 341-350
10 p.
|
artikel
|
| 40 |
Theoretical investigation of DNA oligomer systems. Modification of the hydrogen atoms transfer in a base pair due to time-dependent interaction with stacked base pairs
|
Villani, Giovanni
|
|
2006
|
325 |
2-3 |
p. 389-396
8 p.
|
artikel
|
| 41 |
Theoretical potential energy surfaces for excited mercury trimers
|
Kitamura, Hikaru
|
|
2006
|
325 |
2-3 |
p. 207-219
13 p.
|
artikel
|
| 42 |
Theoretical study on the reaction Br+CH2BrCl
|
Zhang, Hui
|
|
2006
|
325 |
2-3 |
p. 531-537
7 p.
|
artikel
|
| 43 |
Vibronic interactions in the positively charged π-conjugated hydrocarbons
|
Kato, Takashi
|
|
2006
|
325 |
2-3 |
p. 437-444
8 p.
|
artikel
|
| 44 |
Visible-to-ultraviolet upconversion in Pr3+:Y2SiO5 crystals
|
Hu, Changhong
|
|
2006
|
325 |
2-3 |
p. 563-566
4 p.
|
artikel
|
| 45 |
XAS study of a Pt-containing rod-like organometallic polymer
|
Battocchio, C.
|
|
2006
|
325 |
2-3 |
p. 422-428
7 p.
|
artikel
|
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