| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio modelling of neutral and cationic Hg–benzene complexes
|
Steckel, J.A.
|
|
2005
|
409 |
4-6 |
p. 322-330
9 p.
|
artikel
|
| 2 |
AIM and NBO analyses of N–N rotational barrier in monocyclic nitrosamine compounds
|
Roohi, H.
|
|
2005
|
409 |
4-6 |
p. 212-218
7 p.
|
artikel
|
| 3 |
A modified potential energy surface for the C2H+H2 ↔C2H2 +H reaction and a theoretical study on its rate constants
|
Ju, Li-Ping
|
|
2005
|
409 |
4-6 |
p. 249-254
6 p.
|
artikel
|
| 4 |
Any l-state solutions of the Morse potential through the Pekeris approximation and Nikiforov–Uvarov method
|
Berkdemir, Cüneyt
|
|
2005
|
409 |
4-6 |
p. 203-207
5 p.
|
artikel
|
| 5 |
A semiclassical 1D model of ultrafast photoisomerization reactions
|
Benderskii, V.A.
|
|
2005
|
409 |
4-6 |
p. 240-244
5 p.
|
artikel
|
| 6 |
A TD-DFT study on triplet excited-state properties of curcumin and its implications in elucidating the photosensitizing mechanisms of the pigment
|
Shen, Liang
|
|
2005
|
409 |
4-6 |
p. 300-303
4 p.
|
artikel
|
| 7 |
Author Index
|
|
|
2005
|
409 |
4-6 |
p. 362-368
7 p.
|
artikel
|
| 8 |
Band gap variation of size-controlled ZnO quantum dots synthesized by sol–gel method
|
Lin, Kuo-Feng
|
|
2005
|
409 |
4-6 |
p. 208-211
4 p.
|
artikel
|
| 9 |
Cation-like Doppler shifts from a neutral molecule in an electrical discharge
|
Herbin, Hervé
|
|
2005
|
409 |
4-6 |
p. 310-314
5 p.
|
artikel
|
| 10 |
Dissociative ionization of the nucleosides thymidine and uridine by electron impact
|
Ptasińska, S.
|
|
2005
|
409 |
4-6 |
p. 270-276
7 p.
|
artikel
|
| 11 |
Dual-level direct dynamics studies on the reactions of OH radicals with SiH3CH3 and SiH4
|
Zhang, Hui
|
|
2005
|
409 |
4-6 |
p. 355-361
7 p.
|
artikel
|
| 12 |
Editorial board
|
|
|
2005
|
409 |
4-6 |
p. CO2-
1 p.
|
artikel
|
| 13 |
Effect of HB complexation on the optical rotatory power of oxiranes
|
Zborowski, Krzysztof
|
|
2005
|
409 |
4-6 |
p. 163-166
4 p.
|
artikel
|
| 14 |
Effect of hydration on the long-range order of lipid multilayers investigated by in situ time-resolved energy dispersive X-ray diffraction
|
Caminiti, Ruggero
|
|
2005
|
409 |
4-6 |
p. 331-336
6 p.
|
artikel
|
| 15 |
Electronic dipole polarizability and hyperpolarizability of formic acid
|
Alparone, A.
|
|
2005
|
409 |
4-6 |
p. 288-294
7 p.
|
artikel
|
| 16 |
Enthalpies of formation of isoprene’s major oxidation byproducts
|
Ochando-Pardo, Montserrat
|
|
2005
|
409 |
4-6 |
p. 255-259
5 p.
|
artikel
|
| 17 |
Excitation energy transfer in the antenna system with divinyl-chlorophylls in the vinyl reductase-expressing Arabidopsis
|
Akimoto, Seiji
|
|
2005
|
409 |
4-6 |
p. 167-171
5 p.
|
artikel
|
| 18 |
Fabrication and characterization of field-effect transistor device with C 2v isomer of Pr@C82
|
Nagano, Takayuki
|
|
2005
|
409 |
4-6 |
p. 187-191
5 p.
|
artikel
|
| 19 |
Gas-phase FT-IR-spectra of natural amino acids
|
Linder, Rolf
|
|
2005
|
409 |
4-6 |
p. 260-264
5 p.
|
artikel
|
| 20 |
Generation and observation of CHF2, CF2, and CF3 in a CF4/He microwave discharge system: A mass spectrometric method
|
Sablier, Michel
|
|
2005
|
409 |
4-6 |
p. 342-348
7 p.
|
artikel
|
| 21 |
Interpretation of vicinal spin–spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles
|
Soncini, A.
|
|
2005
|
409 |
4-6 |
p. 177-186
10 p.
|
artikel
|
| 22 |
Linear regression correction to first principle theoretical calculations – Improved descriptors and enlarged training set
|
Duan, Xue-Mei
|
|
2005
|
409 |
4-6 |
p. 315-321
7 p.
|
artikel
|
| 23 |
Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water
|
Boutin, Anne
|
|
2005
|
409 |
4-6 |
p. 219-223
5 p.
|
artikel
|
| 24 |
New relativistic ANO basis sets for actinide atoms
|
Roos, Björn O.
|
|
2005
|
409 |
4-6 |
p. 295-299
5 p.
|
artikel
|
| 25 |
Organic-vapor detection using carbon-nanotubes nanocomposite microacoustic sensors
|
Penza, M.
|
|
2005
|
409 |
4-6 |
p. 349-354
6 p.
|
artikel
|
| 26 |
Photolysis of butenedial at 193, 248, 280, 308, 351, 400, and 450nm
|
Tang, Yongxin
|
|
2005
|
409 |
4-6 |
p. 151-156
6 p.
|
artikel
|
| 27 |
Post-collision interaction and the Auger effect in double photoionisation of germanium compounds
|
Eland, John H.D.
|
|
2005
|
409 |
4-6 |
p. 245-248
4 p.
|
artikel
|
| 28 |
Real-time observation of hydrogen bond-assisted electron transfer to a DNA base
|
Trifonov, Anton
|
|
2005
|
409 |
4-6 |
p. 277-280
4 p.
|
artikel
|
| 29 |
Selective formation of Ni 13 O 8 + and Ni 16 O 10 + by the reactions of nickel cluster cations with oxygen
|
Sugawara, Ko-ichi
|
|
2005
|
409 |
4-6 |
p. 197-202
6 p.
|
artikel
|
| 30 |
Structural arrangement and dynamics of the hydrated Mg2+: An ab initio QM/MM molecular dynamics simulation
|
Tongraar, Anan
|
|
2005
|
409 |
4-6 |
p. 304-309
6 p.
|
artikel
|
| 31 |
Structural characterization of mesoporous silica nanowire arrays grown in porous alumina templates
|
Jin, Kewang
|
|
2005
|
409 |
4-6 |
p. 172-176
5 p.
|
artikel
|
| 32 |
Sub-5fs time-resolved dynamic Franck–Condon overlaps associated with the S1 →S0 stimulated transition in oligothiophene 13-mer
|
Ozawa, A.
|
|
2005
|
409 |
4-6 |
p. 224-229
6 p.
|
artikel
|
| 33 |
Synthesis and photoluminescence of corn-like ZnO nanostructures under solvothermal-assisted heat treatment
|
Yang, Lei
|
|
2005
|
409 |
4-6 |
p. 337-341
5 p.
|
artikel
|
| 34 |
Synthesis, isolation and spectroscopic characterization of Yb-containing high metallofullerenes
|
Xu, Jianxun
|
|
2005
|
409 |
4-6 |
p. 192-196
5 p.
|
artikel
|
| 35 |
The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology
|
Castillo, Norberto
|
|
2005
|
409 |
4-6 |
p. 265-269
5 p.
|
artikel
|
| 36 |
Thermochemical study of the liquid phase equilibrium reaction of dihalomethanes by NMR spectroscopy
|
Dávalos, J.Z.
|
|
2005
|
409 |
4-6 |
p. 230-234
5 p.
|
artikel
|
| 37 |
Time-dependent density functional theory for polycyclic aromatic hydrocarbon anions: What is the best approach
|
Bauschlicher Jr., Charles W.
|
|
2005
|
409 |
4-6 |
p. 235-239
5 p.
|
artikel
|
| 38 |
Very high sensitivity CW-cavity ring down spectroscopy: Application to the a 1 Δ g ( 0 ) – X 3 Σ g - ( 1 ) O2 band near 1.58μm
|
Kassi, S.
|
|
2005
|
409 |
4-6 |
p. 281-287
7 p.
|
artikel
|
| 39 |
Water bilayer on the Pd/Au(111) overlayer system: Coadsorption and electric field effects
|
Roudgar, Ata
|
|
2005
|
409 |
4-6 |
p. 157-162
6 p.
|
artikel
|
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