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                             50 gevonden resultaten
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
                             50 gevonden resultaten
 
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