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                             47 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Acid–base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation Amat, Anna
 2008
 462 4-6 p. 313-317
5 p.
 artikel
2 A comparison of metallophilic interactions in group 11[X–M–PH3] n (n =2–3) complex halides (M=Cu, Ag, Au; X=Cl, Br, I) from density functional theory Assadollahzadeh, Behnam
 2008
 462 4-6 p. 222-228
7 p.
 artikel
3 A direct ab initio molecular dynamics (MD) study on the repair reactions of stacked thymine dimer Tachikawa, Hiroto
 2008
 462 4-6 p. 321-326
6 p.
 artikel
4 Analysis of the interactions between pentacene film and air molecules by means of Raman spectroscopy Angelis, F. De
 2008
 462 4-6 p. 234-237
4 p.
 artikel
5 Atmospheric chemistry of CF3CH2CF2CH3 (HFC-365mfc): Kinetics and mechanism of chlorine atom initiated oxidation, infrared spectrum, and global warming potential Inoue, Y.
 2008
 462 4-6 p. 164-168
5 p.
 artikel
6 Author Index 2008
 462 4-6 p. 365-371
7 p.
 artikel
7 35Cl-NQR and DFT study of electronic structure of amlodipine and felodipine vascular-selective drugs from the dihydropyridine Ca++ antagonists group Latosińska, J.N.
 2008
 462 4-6 p. 295-299
5 p.
 artikel
8 Clusters of hafnium, Hf n n =2–8 Bauschlicher Jr., Charles W.
 2008
 462 4-6 p. 183-187
5 p.
 artikel
9 Contents 2008
 462 4-6 p. iii-xiv
nvt p.
 artikel
10 Dielectric constant of water from free energies of H-bond formation in (H2O) n clusters Deb, Nipamanjari
 2008
 462 4-6 p. 243-245
3 p.
 artikel
11 Discriminating the carboxylic groups from the total acidic sites in oxidized multi-wall carbon nanotubes by means of acid–base titration González-Guerrero, Ana Belén
 2008
 462 4-6 p. 256-259
4 p.
 artikel
12 Editorial Board 2008
 462 4-6 p. IFC-
1 p.
 artikel
13 Effect of hydration on the structure of solid-supported Niosomal membranes investigated by in situ energy dispersive X-ray diffraction Caracciolo, Giulio
 2008
 462 4-6 p. 307-312
6 p.
 artikel
14 Excitons diffusion and singlet–triplet occupation at high Bose–Einstein chemical potential Bisquert, Juan
 2008
 462 4-6 p. 229-233
5 p.
 artikel
15 First-principles theoretical analysis of dopant adsorption and diffusion on surfaces of ZnSe nanocrystals Singh, Tejinder
 2008
 462 4-6 p. 265-268
4 p.
 artikel
16 Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation? Pržulj, Željko
 2008
 462 4-6 p. 213-216
4 p.
 artikel
17 Interaction energy of water dimers from pressure broadening of near-IR absorption lines Fiadzomor, Phyllis A.Y.
 2008
 462 4-6 p. 188-191
4 p.
 artikel
18 Metal enhanced fluorescence on silicon wafer substrates Gryczynski, I.
 2008
 462 4-6 p. 327-330
4 p.
 artikel
19 Molecular simulation study of intercalation of small molecules in kaolinite Rutkai, Gábor
 2008
 462 4-6 p. 269-274
6 p.
 artikel
20 Non-planar distortion of single molecules revealed by vibronic fluorescence excitation: Terrylene in p-terphenyl and naphthalene crystals Wiącek, D.
 2008
 462 4-6 p. 280-283
4 p.
 artikel
21 Nucleation in a superheated nitrogen–helium solution Baidakov, V.G.
 2008
 462 4-6 p. 201-204
4 p.
 artikel
22 Origin of color tuning in human red, green, and blue cone pigments: SAC-CI and QM/MM study Fujimoto, Kazuhiro
 2008
 462 4-6 p. 318-320
3 p.
 artikel
23 Phosphodiester bond rupture in 5′ and 3′ cytosine monophosphate in aqueous environment and the effect of low-energy electron attachment: A Car–Parrinello QM/MM molecular dynamics study Schyman, Patric
 2008
 462 4-6 p. 289-294
6 p.
 artikel
24 Photoinduced interfacial electron injection in RuN3–TiO2 thin films: Resolving picosecond timescale injection from the triplet state of the protonated and deprotonated dyes Pellnor, M.
 2008
 462 4-6 p. 205-208
4 p.
 artikel
25 Platinum–carbon nanotube interaction Bittencourt, C.
 2008
 462 4-6 p. 260-264
5 p.
 artikel
26 Polarization spectroscopy of aluminum phthalocyanine hydroxide embedded in superfluid helium droplets Pei, Linsen
 2008
 462 4-6 p. 173-177
5 p.
 artikel
27 Potential energy surfaces for the lowest excited states of the nitrogen-vacancy point defects in diamonds: A quantum chemical study Zyubin, A.S.
 2008
 462 4-6 p. 251-255
5 p.
 artikel
28 Propensities of oxalic, citric, succinic, and maleic acids for the aqueous solution/vapour interface: Surface tension measurements and molecular dynamics simulations Mahiuddin, Sekh
 2008
 462 4-6 p. 217-221
5 p.
 artikel
29 QSPR study of solvent quenching of the 5D0 → 7F2 emission of Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)3 Mercader, Andrew G.
 2008
 462 4-6 p. 352-357
6 p.
 artikel
30 Range-separation by the Yukawa potential in long-range corrected density functional theory with Gaussian-type basis functions Akinaga, Yoshinobu
 2008
 462 4-6 p. 348-351
4 p.
 artikel
31 Reference potential approach to the energy eigenvalue problem of a rotating diatomic molecule Selg, Matti
 2008
 462 4-6 p. 337-343
7 p.
 artikel
32 Steady state effects in PGSE NMR diffusion experiments Stait-Gardner, Tim
 2008
 462 4-6 p. 331-336
6 p.
 artikel
33 Steric effects on adsorption and desorption behaviors of alkanethiol self-assembled monolayers on Au(111) Ito, Eisuke
 2008
 462 4-6 p. 209-212
4 p.
 artikel
34 Structural and conformational investigation of nemorosone: A combined X-ray and quantum mechanical study Pagano, Bruno
 2008
 462 4-6 p. 158-163
6 p.
 artikel
35 Switching on molecular iodine elimination through isomerization: The F2C–I–I isomer of difluorodiiodomethane El-Khoury, Patrick Z.
 2008
 462 4-6 p. 192-195
4 p.
 artikel
36 The covalently bound HNC dimer ion HNCCNH + has a kinetically stable neutral counterpart Jobst, Karl J.
 2008
 462 4-6 p. 152-157
6 p.
 artikel
37 The dissociative recombination of H 3 + – a saga coming to an end? Larsson, M.
 2008
 462 4-6 p. 145-151
7 p.
 artikel
38 The geometric and magnetic properties of the endohedral plumbaspherene M@Pb12 clusters (M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni) Chen, Xuan
 2008
 462 4-6 p. 275-279
5 p.
 artikel
39 Theoretical study of the discrete and continuum spectrum of BeH Velasco, A.M.
 2008
 462 4-6 p. 344-347
4 p.
 artikel
40 Theoretical study on the photoabsorption of M Au 12 - (M=V, Nb and Ta) Stener, M.
 2008
 462 4-6 p. 358-364
7 p.
 artikel
41 The pH-induced shift in the g-tensor components of semiquinone-type radicals in humic acids – DFT and EPR studies Witwicki, Maciej
 2008
 462 4-6 p. 300-306
7 p.
 artikel
42 Thermal stability and molecular dynamics of triclosan in solid state studied by 35Cl–NQR spectroscopy and DFT calculations Latosińska, J.N.
 2008
 462 4-6 p. 284-288
5 p.
 artikel
43 Three-photon photodissociation of adsorbed halomethanes by excimer lasers: A general mechanism Varakin, V.N.
 2008
 462 4-6 p. 196-200
5 p.
 artikel
44 Two-photon absorption properties of meso-substituted A3-corroles Rebane, Aleksander
 2008
 462 4-6 p. 246-250
5 p.
 artikel
45 Ultraviolet absorption spectra of pyridine-d0 and -d5 and their ring-bending potential energy function in the S1(n,π∗) state Boopalachandran, Praveenkumar
 2008
 462 4-6 p. 178-182
5 p.
 artikel
46 Vibrational dynamics of benzoic acid in nonpolar solvents studied by subpicosecond infrared pump–probe spectroscopy Yamaguchi, Sayuri
 2008
 462 4-6 p. 238-242
5 p.
 artikel
47 Vibrational spectra for P4O6 and P4O10 systems: Theoretical study from DFT quartic potential and mixed perturbation-variation method Carbonnière, P.
 2008
 462 4-6 p. 169-172
4 p.
 artikel
                             47 gevonden resultaten
 
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