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                             59 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A charge density analysis on the proximity effect in dicyanoalkanes López, José Luis
 2006
 422 4-6 p. 558-564
7 p.
 artikel
2 Addition and hydrogen abstraction reactions of an OH radical with 8-oxoguanine Jena, N.R.
 2006
 422 4-6 p. 417-423
7 p.
 artikel
3 Adsorption and oxidation of NO on Au(111) surface: Density functional studies Torres, Daniel
 2006
 422 4-6 p. 412-416
5 p.
 artikel
4 A quasi-classical trajectory study of the product energy partition and rovibrational distribution for the H+CD4 reaction Rangel, C.
 2006
 422 4-6 p. 581-585
5 p.
 artikel
5 A theoretical analysis on the interaction between tin(II) porphyrin and platinum and the electronic characteristics of their reaction product Dy, Eben Sy
 2006
 422 4-6 p. 539-542
4 p.
 artikel
6 Author Index 2006
 422 4-6 p. 587-596
10 p.
 artikel
7 Cavity ring-down spectroscopy of jet-cooled 1-pyrenecarboxyaldehyde (C17H10O) and 1-methylpyrene (C17H12) cations Tan, Xiaofeng
 2006
 422 4-6 p. 518-521
4 p.
 artikel
8 Chemical and thermal structures of a xylene-based CVD reactor to synthesize carbon nanotubes Wasel, Wahed
 2006
 422 4-6 p. 470-474
5 p.
 artikel
9 Coarse-grained protein model, cooperativity of folding and subdomain structure Kenzaki, Hiroo
 2006
 422 4-6 p. 429-433
5 p.
 artikel
10 Cobalt nanoparticles with preferential hcp structure: A confirmation by X-ray diffraction and NMR Matveev, Vladimir V.
 2006
 422 4-6 p. 402-405
4 p.
 artikel
11 Detachment of vertically aligned single-walled carbon nanotube films from substrates and their re-attachment to arbitrary surfaces Murakami, Yoichi
 2006
 422 4-6 p. 575-580
6 p.
 artikel
12 Dielectric and dynamic mechanical relaxations in polymer–heterocycle hybrid materials Bozkurt, Ayhan
 2006
 422 4-6 p. 496-499
4 p.
 artikel
13 Direct observations of the chemical shift and electron momentum distributions of core shell in N2O Su, G.L.
 2006
 422 4-6 p. 308-312
5 p.
 artikel
14 Dissociation of energy-selected c-C3H6S+ studied with threshold photoelectron-photoion coincidence experiments and calculations Chiang, Su-Yu
 2006
 422 4-6 p. 475-480
6 p.
 artikel
15 Editorial Board 2006
 422 4-6 p. CO2-
1 p.
 artikel
16 Effect of cation–π interaction on NMR: A theoretical investigation on complexes of Li+, Na+, Be2+, and Mg2+ with aromatics Cheng, Jiagao
 2006
 422 4-6 p. 455-460
6 p.
 artikel
17 Effect of oxygen vacancy sites on CO2 adsorption dynamics: The case of rutile (1×1)-TiO2 (110) Funk, S.
 2006
 422 4-6 p. 461-465
5 p.
 artikel
18 Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes Dunlap, Brett I.
 2006
 422 4-6 p. 451-454
4 p.
 artikel
19 Electron impact ionization cross sections of vibrationally and electronically excited oxygen molecules Kosarim, A.V.
 2006
 422 4-6 p. 513-517
5 p.
 artikel
20 Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ Haynes, P.D.
 2006
 422 4-6 p. 345-349
5 p.
 artikel
21 Erratum to ‘Density-to-potential map in time-independent excited-state density-functional theory’ [Chemical Physics Letters 419 (2006) 217–222] Samal, Prasanjit
 2006
 422 4-6 p. 586-
1 p.
 artikel
22 Excited state proton transfer of 2-(2′-pyridyl)benzimidazole: A computational study Panda, Debashis
 2006
 422 4-6 p. 446-450
5 p.
 artikel
23 Experimental and computational study on the thermochemistry of the isomers of iodoaniline and diiodoaniline Ribeiro da Silva, Manuel A.V.
 2006
 422 4-6 p. 565-570
6 p.
 artikel
24 First experimental observation on different ionic states of isopropylthio ((CH3)2CHS) radical Yao, Li
 2006
 422 4-6 p. 466-469
4 p.
 artikel
25 First-principles vibrational studies of pentaerythritol crystal under hydrostatic pressure Perger, W.F.
 2006
 422 4-6 p. 397-401
5 p.
 artikel
26 Functional properties of fluorescent poly(amidoamine) dendrimers in nematic liquid crystalline media Grabchev, Ivo
 2006
 422 4-6 p. 547-551
5 p.
 artikel
27 Gerade Rydberg states of Xe2 probed by laser spectroscopy in the afterglow of a Xe microplasma: Ω g ← a 3 Σ u + ( 1 u , O u - ) transitions in the near-infrared (675–800nm) Wagner, C.J.
 2006
 422 4-6 p. 372-377
6 p.
 artikel
28 Group electrophilicity as a model of nucleofugality in nucleophilic substitution reactions Campodonico, Paola R.
 2006
 422 4-6 p. 340-344
5 p.
 artikel
29 Highly efficient polymer light-emitting diodes using color-tunable carbazole-based iridium complexes Zhang, Xiaowei
 2006
 422 4-6 p. 386-390
5 p.
 artikel
30 High photocatalytic activity of monolayer nanocoatings prepared from non-crystalline titanium oxide sol nanoparticles Benmami, M.
 2006
 422 4-6 p. 552-557
6 p.
 artikel
31 How lipid hydration and temperature affect the structure of DC-Chol–DOPE/DNA lipoplexes Pozzi, Daniela
 2006
 422 4-6 p. 439-445
7 p.
 artikel
32 Hydride bonding – Ab initio studies of BeH2…Li+, BeH2…Na+ and BeH2…Mg2+ model systems Grabowski, Sławomir J.
 2006
 422 4-6 p. 334-339
6 p.
 artikel
33 Hydrogen-bonding between cytosine and water: Computational evidence for a ring-opened complex Hunter, Ken C.
 2006
 422 4-6 p. 500-506
7 p.
 artikel
34 Infrared spectroscopy of size-selected neutral clusters combined with vacuum-ultraviolet-photoionization mass spectrometry Matsuda, Yoshiyuki
 2006
 422 4-6 p. 378-381
4 p.
 artikel
35 Investigation on the low energy conformational surface of tabun to probe the role of its different conformers on biological activity Paukku, Yuliya
 2006
 422 4-6 p. 317-322
6 p.
 artikel
36 Ion pairing effects on the kinetic of the intramolecular electron transfer reaction [FeII(CN)5pzCoIII(NH3)5]→[FeIII(CN)5pzCoII(NH3)5] Muriel, F.
 2006
 422 4-6 p. 382-385
4 p.
 artikel
37 Low band gap polymer bulk heterojunction solar cells Wienk, Martijn M.
 2006
 422 4-6 p. 488-491
4 p.
 artikel
38 Low-temperature synthesis of single-walled carbon nanotubes with a narrow diameter distribution using size-classified catalyst nanoparticles Kondo, Daiyu
 2006
 422 4-6 p. 481-487
7 p.
 artikel
39 Magnetic properties of Co-doped ZnO diluted magnetic semiconductors prepared by low-temperature mechanosynthesis Colis, S.
 2006
 422 4-6 p. 529-533
5 p.
 artikel
40 Monte Carlo simulation of light scattering spectra in atomic gases Bruno, D.
 2006
 422 4-6 p. 571-574
4 p.
 artikel
41 Non-periodic boundary conditions for ab initio molecular dynamics in condensed phase using localized basis functions Rega, Nadia
 2006
 422 4-6 p. 367-371
5 p.
 artikel
42 Optical transition in an impurity centre of a crystal: Mixing of phonons Hizhnyakov, V.
 2006
 422 4-6 p. 299-302
4 p.
 artikel
43 Perturbation theory of the spatial confinement effects in the Rydberg HeH molecule Bielińska-Wa¸ż, Dorota
 2006
 422 4-6 p. 391-396
6 p.
 artikel
44 Relations between N-representable n-particle densities Pistol, Mats-Erik
 2006
 422 4-6 p. 363-366
4 p.
 artikel
45 Size dependence of the electronic structure of copper nanoclusters in SiC matrix Shin, Dong-Woon
 2006
 422 4-6 p. 543-546
4 p.
 artikel
46 Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method Zhan, Huan
 2006
 422 4-6 p. 358-362
5 p.
 artikel
47 Study on the structure of Bayer liquor with spectroscopy and MD simulation Chen, Yun
 2006
 422 4-6 p. 406-411
6 p.
 artikel
48 Surface enhanced Raman scattering on gold nanowire arrays: Evidence of strong multipolar surface plasmon resonance enhancement Billot, L.
 2006
 422 4-6 p. 303-307
5 p.
 artikel
49 Synthesis, photoluminescence and field emission properties of In2O3 nanowires Kar, Soumitra
 2006
 422 4-6 p. 424-428
5 p.
 artikel
50 The influence of quantum forces on molecular dynamics simulation results for hydrated aluminium(III) Hofer, Thomas S.
 2006
 422 4-6 p. 492-495
4 p.
 artikel
51 The location of the second critical point of water Kanno, Hitoshi
 2006
 422 4-6 p. 507-512
6 p.
 artikel
52 Theoretical characterization of aflatoxins and their phototoxic reactions Guedes, Rita C.
 2006
 422 4-6 p. 328-333
6 p.
 artikel
53 Theoretical characterization of the thiosulfeno radical, HS2 Denis, Pablo A.
 2006
 422 4-6 p. 434-438
5 p.
 artikel
54 Theoretical study of activation CC double bond of C2H4 by CrO 2 + in gas phase Wang, Yong-Cheng
 2006
 422 4-6 p. 534-538
5 p.
 artikel
55 The role of charge-transfer integral in determining and engineering the carrier mobilities of 9,10-di(2-naphthyl)anthracene compounds Tse, S.C.
 2006
 422 4-6 p. 354-357
4 p.
 artikel
56 The spectroscopic fingerprint of TNT between 395 and 495nm determined from transmission near field optical microscopy measurements Gomez, Lewis Mortimer
 2006
 422 4-6 p. 313-316
4 p.
 artikel
57 The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study Pastore, Mariachiara
 2006
 422 4-6 p. 522-528
7 p.
 artikel
58 Tuning the emission bands of nanophosphors through the refractive index of the medium Bhat, S. Venkataprasad
 2006
 422 4-6 p. 323-327
5 p.
 artikel
59 Unexpected low-temperature CO dissociation on Ru by Li promoter atoms Kim, Yu Kwon
 2006
 422 4-6 p. 350-353
4 p.
 artikel
                             59 gevonden resultaten
 
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