nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio studies of the dipole moment and polarizability of azulene in its ground and excited singlet states
|
Hinchliffe, Alan |
|
2005 |
412 |
4-6 |
p. 365-368 4 p. |
artikel |
2 |
Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn–Sham model
|
Podeszwa, Rafał |
|
2005 |
412 |
4-6 |
p. 488-493 6 p. |
artikel |
3 |
Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method
|
Małolepsza, Edyta |
|
2005 |
412 |
4-6 |
p. 237-243 7 p. |
artikel |
4 |
A direct ab initio dynamics study of the initial decomposition steps of gas phase 1,3,3-trinitroazetidine
|
Zhao, Qinghua |
|
2005 |
412 |
4-6 |
p. 317-321 5 p. |
artikel |
5 |
Analytical expressions of exchange and three-center nuclear attraction integrals over 1s and 2s Slater orbitals with different exponents
|
Ruiz, María Belén |
|
2005 |
412 |
4-6 |
p. 244-249 6 p. |
artikel |
6 |
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules
|
Duchowicz, Pablo R. |
|
2005 |
412 |
4-6 |
p. 376-380 5 p. |
artikel |
7 |
Anode catalysts for enhanced methanol oxidation: An in situ XANES study of PtRu/C and PtMo/C catalysts
|
Mylswamy, S. |
|
2005 |
412 |
4-6 |
p. 444-448 5 p. |
artikel |
8 |
Applications of genetic algorithms for inverting positron lifetime spectrum
|
Lemes, N.H.T. |
|
2005 |
412 |
4-6 |
p. 353-358 6 p. |
artikel |
9 |
Author Index
|
|
|
2005 |
412 |
4-6 |
p. 494-502 9 p. |
artikel |
10 |
Binding and relaxation behavior of Coumarin-153 in lecithin–taurocholate mixed micelles: A time resolved fluorescence spectroscopic study
|
Chakrabarty, Debdeep |
|
2005 |
412 |
4-6 |
p. 255-262 8 p. |
artikel |
11 |
Bipartivity of fullerene graphs and fullerene stability
|
Došlić, Tomislav |
|
2005 |
412 |
4-6 |
p. 336-340 5 p. |
artikel |
12 |
Blueshift of the photoluminescence excitation band of the Sm3+ impurity in Pt–CeO2 powder induced by the electron transfer between CeO2 and Pt particles
|
Nakajima, Hiromitsu |
|
2005 |
412 |
4-6 |
p. 391-394 4 p. |
artikel |
13 |
Dynamic folding pathway models of α-helix and β-hairpin structures
|
Lee, In-Ho |
|
2005 |
412 |
4-6 |
p. 307-312 6 p. |
artikel |
14 |
Editorial Board
|
|
|
2005 |
412 |
4-6 |
p. CO2- 1 p. |
artikel |
15 |
Electron momentum distribution mapping of trans-stilbene single crystal by positron annihilation
|
Sivaji, Krishnan |
|
2005 |
412 |
4-6 |
p. 327-330 4 p. |
artikel |
16 |
Enhancement of hydrogen storage capacity of carbon nanotubes via spill-over from vanadium and palladium nanoparticles
|
Zacharia, Renju |
|
2005 |
412 |
4-6 |
p. 369-375 7 p. |
artikel |
17 |
Extinction and orientational dependence of electron diffraction from single-walled carbon nanotubes
|
Liu, Zejian |
|
2005 |
412 |
4-6 |
p. 399-405 7 p. |
artikel |
18 |
Extracular densities of the non-Born–Oppenheimer Hookean H2 molecule
|
Lopez, Xabier |
|
2005 |
412 |
4-6 |
p. 381-385 5 p. |
artikel |
19 |
Fabrication of organic copper phthalocyanine nanowire arrays via a simple AAO template-based electrophoretic deposition
|
Xu, Hua-Bing |
|
2005 |
412 |
4-6 |
p. 294-298 5 p. |
artikel |
20 |
Growth, nitrogen doping and characterization of isolated single-wall carbon nanotubes using liquid precursors
|
Keskar, Gayatri |
|
2005 |
412 |
4-6 |
p. 269-273 5 p. |
artikel |
21 |
H atom-induced oxidation reaction on water-terminated Si surface, 2H+H2O/Si(100)–(2×1): A theoretical study
|
Watanabe, Hidekazu |
|
2005 |
412 |
4-6 |
p. 347-352 6 p. |
artikel |
22 |
High-aperture-excitation and -detection fluorescence spectroscopy with polarized light
|
Fisz, J.J. |
|
2005 |
412 |
4-6 |
p. 263-268 6 p. |
artikel |
23 |
Hyper-Rayleigh scattering of neutral and charged helicenes
|
Botek, Edith |
|
2005 |
412 |
4-6 |
p. 274-279 6 p. |
artikel |
24 |
Improved multi-level electronic structure methods (MLSEn + d) for atomization energies and reaction energy barriers
|
Li, Tsung-Hui |
|
2005 |
412 |
4-6 |
p. 430-433 4 p. |
artikel |
25 |
Improvement in performance of organic light-emitting diodes by adjusting charge-carrier mobility in organic/inorganic hybrid hole transporting layer
|
Li, Fushan |
|
2005 |
412 |
4-6 |
p. 331-335 5 p. |
artikel |
26 |
Indium-related novel architecture of GaN nanorod grown by molecular beam epitaxy
|
Kim, Young Heon |
|
2005 |
412 |
4-6 |
p. 454-458 5 p. |
artikel |
27 |
Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex
|
Sun, Mengtao |
|
2005 |
412 |
4-6 |
p. 425-429 5 p. |
artikel |
28 |
Investigation of microwave effects on the oscillatory Bray–Liebhafsky reaction
|
Stanisavljev, Dragomir R. |
|
2005 |
412 |
4-6 |
p. 420-424 5 p. |
artikel |
29 |
Investigation of moisture diffusion in epoxy system: Experiments and molecular dynamics simulations
|
Lin, Y.C. |
|
2005 |
412 |
4-6 |
p. 322-326 5 p. |
artikel |
30 |
Length and temperature dependence of electrical conduction through dithiolated porphyrin arrays
|
Kang, Bong Keun |
|
2005 |
412 |
4-6 |
p. 303-306 4 p. |
artikel |
31 |
Luminescence of (Li0.333Na0.334K0.333)Eu(MoO4)2 and its application in near UV InGaN-based light-emitting diode
|
Wang, Zhengliang |
|
2005 |
412 |
4-6 |
p. 313-316 4 p. |
artikel |
32 |
Methylsilane on Cu(111): A MDS study of the formation of the surface silicide
|
Ménard, Hervé |
|
2005 |
412 |
4-6 |
p. 434-438 5 p. |
artikel |
33 |
Molecular rotation–vibration coupling by quantum wavepacket interference at potential energy curve crossings
|
Gador, Niklas |
|
2005 |
412 |
4-6 |
p. 386-390 5 p. |
artikel |
34 |
MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases
|
Danilov, Victor I. |
|
2005 |
412 |
4-6 |
p. 285-293 9 p. |
artikel |
35 |
Multifrequency EPR study and DFT calculations of a C60 bisadduct anion
|
Zoleo, Alfonso |
|
2005 |
412 |
4-6 |
p. 470-476 7 p. |
artikel |
36 |
Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths
|
Su, Wenyong |
|
2005 |
412 |
4-6 |
p. 406-410 5 p. |
artikel |
37 |
Radiative decay engineering by triaxial nanoellipsoids
|
Guzatov, D.V. |
|
2005 |
412 |
4-6 |
p. 341-346 6 p. |
artikel |
38 |
Raman scattering analysis of changes induced by chemical treatment of double-walled carbon nanotubes
|
Ellis, Amanda V. |
|
2005 |
412 |
4-6 |
p. 449-453 5 p. |
artikel |
39 |
Raman spectral changes of PEDOT–PSS in polymer light-emitting diodes upon operation
|
Sakamoto, Satoshi |
|
2005 |
412 |
4-6 |
p. 395-398 4 p. |
artikel |
40 |
Replica-exchange molecular dynamics simulation of small peptide in water and in ethanol
|
Yoshida, Koji |
|
2005 |
412 |
4-6 |
p. 280-284 5 p. |
artikel |
41 |
Site-specific fragmentation caused by Si:1s core-level photoionization of F3SiCH2CH2Si(CH3)3 vapor
|
Nagaoka, S. |
|
2005 |
412 |
4-6 |
p. 459-463 5 p. |
artikel |
42 |
Solvent-dependent intra- and intermolecular vibrational energy transfer of W(CO)6 probed with sub-picosecond time-resolved infrared spectroscopy
|
Banno, Motohiro |
|
2005 |
412 |
4-6 |
p. 464-469 6 p. |
artikel |
43 |
Structure and stability of perazido substituted azacycloalkanes, N n (N3) n
|
Wu, Hai-Shun |
|
2005 |
412 |
4-6 |
p. 299-302 4 p. |
artikel |
44 |
Structure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimers
|
Ignatyev, I.S. |
|
2005 |
412 |
4-6 |
p. 359-364 6 p. |
artikel |
45 |
The binding of the noble metal cations Au+ and Ag+ to propene
|
Olson, Ryan |
|
2005 |
412 |
4-6 |
p. 416-419 4 p. |
artikel |
46 |
The CO–H interaction on Pt(111) studied using temperature programmed vibrational sum frequency generation
|
Roeterdink, W.G. |
|
2005 |
412 |
4-6 |
p. 482-487 6 p. |
artikel |
47 |
The interaction of N2 with active sites of a single-wall carbon nanotube
|
Xu, Yi-Jun |
|
2005 |
412 |
4-6 |
p. 439-443 5 p. |
artikel |
48 |
The magneto-optical properties of diastereoisomers
|
Ruchon, Thierry |
|
2005 |
412 |
4-6 |
p. 411-415 5 p. |
artikel |
49 |
Theoretical study of the interaction d10–s2 between Pt(0) and Tl(I) on the [Pt(PH3)3Tl]+ complex
|
Mendizabal, Fernando |
|
2005 |
412 |
4-6 |
p. 477-481 5 p. |
artikel |
50 |
Wetting of doped carbon nanotubes by water droplets
|
Kotsalis, E.M. |
|
2005 |
412 |
4-6 |
p. 250-254 5 p. |
artikel |