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                             55 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit Varandas, A.J.C.
 2007
 443 4-6 p. 398-407
10 p.
 artikel
2 Accurate intermolecular ground state potential of the He–BH van der Waals complex Wang, Zhongquan
 2007
 443 4-6 p. 237-242
6 p.
 artikel
3 A density functional and ab initio investigation of the p-aminobenzoic acid molecule Lago, A.F.
 2007
 443 4-6 p. 232-236
5 p.
 artikel
4 Adsorption structures of thiophene on Si(100)-(2×1) studied by scanning tunneling microscopy and density functional theory Isobe, Naoki
 2007
 443 4-6 p. 347-351
5 p.
 artikel
5 Aperture, symmetry, isotropy, and compactness analysis and their correlation in spaghetti-like nanostructure dynamics Purqon, Acep
 2007
 443 4-6 p. 356-363
8 p.
 artikel
6 Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6 Santos, Juan C.
 2007
 443 4-6 p. 439-442
4 p.
 artikel
7 A simple and green approach for preparation of ZnO2 and ZnO under sunlight irradiation Sun, Meng
 2007
 443 4-6 p. 342-346
5 p.
 artikel
8 Atmospheric chemistry of trans-CF3CHCHF: Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3 Søndergaard, R.
 2007
 443 4-6 p. 199-204
6 p.
 artikel
9 Author Index 2007
 443 4-6 p. 443-451
9 p.
 artikel
10 CO adsorbs upside-down on small Pt m Au n clusters Wang, Lichang
 2007
 443 4-6 p. 304-308
5 p.
 artikel
11 Competition between proton and H-atom transfer: The role of the chromophore environment in the green fluorescent protein Manca, Carine
 2007
 443 4-6 p. 173-177
5 p.
 artikel
12 Conformational sampling of a 40-residue protein consisting of α and β secondary-structure elements in explicit solvent Ikebe, Jinzen
 2007
 443 4-6 p. 364-368
5 p.
 artikel
13 Contents 2007
 443 4-6 p. iii-xvi
nvt p.
 artikel
14 Distribution moments of 2D-graphs as descriptors of DNA sequences Bielińska-Wa¸ż, Dorota
 2007
 443 4-6 p. 408-413
6 p.
 artikel
15 Editorial Board 2007
 443 4-6 p. IFC-
1 p.
 artikel
16 Effect of ring annelation on Li+–benzene interaction: A computational study Hassan, Ayorinde
 2007
 443 4-6 p. 205-210
6 p.
 artikel
17 Electric field-induced quenching of photoluminescence in the MEH-PPV:C60 composite thin film Jin, Hui
 2007
 443 4-6 p. 374-377
4 p.
 artikel
18 Er3+–Yb3+ co-doped silicate glass for optical temperature sensor Li, Chengren
 2007
 443 4-6 p. 426-429
4 p.
 artikel
19 Excited-state dynamics of normal and doubly N-confused type hexaphyrin derivatives studied by time-resolved fluorescence measurements Ryu, Jang-Hyun
 2007
 443 4-6 p. 274-279
6 p.
 artikel
20 Finite length effects in DNA-wrapped carbon nanotubes Chou, S.G.
 2007
 443 4-6 p. 328-332
5 p.
 artikel
21 Identifying a pair of interacting chromophores by using SVD transformed CIS wave functions Mayer, I.
 2007
 443 4-6 p. 420-425
6 p.
 artikel
22 Intrinsic hyperpolarizability of 3-dicyanomethylene-5,5-dimethyl-1-[2-(4-hydroxyphenyl)ethenyl]-cyclohexene nanocrystallites incorporated into the photopolymer matrices Kolev, Ts.
 2007
 443 4-6 p. 309-312
4 p.
 artikel
23 Ionic and neutral mercaptothiocarbonyl: A tandem mass spectrometry and computational study Ramesh, V.
 2007
 443 4-6 p. 216-221
6 p.
 artikel
24 IR spectra of phenol+–Kr n cluster cations (n =1,2): Evidence for photoionization-induced π→H isomerization Takeda, Akihiro
 2007
 443 4-6 p. 227-231
5 p.
 artikel
25 Is hydrogen capable of playing a central atom role in superhalogen anions? Smuczyńska, Sylwia
 2007
 443 4-6 p. 190-193
4 p.
 artikel
26 Linear relation between T H (homogeneous ice nucleation temperature) and T m (melting temperature) for aqueous solutions of sucrose, trehalose, and maltose Kanno, Hitoshi
 2007
 443 4-6 p. 280-283
4 p.
 artikel
27 Modification for spin-adapted version of configuration interaction singles with perturbative doubles Mochizuki, Yuji
 2007
 443 4-6 p. 389-397
9 p.
 artikel
28 Molecular absorption cross-section and absolute absorptivity in the THz frequency range for the explosives TNT, RDX, HMX, and PETN Fitch, Michael J.
 2007
 443 4-6 p. 284-288
5 p.
 artikel
29 Nanoscopic heterogeneities in adsorption and electron transfer processes of perylene diimide dye on TiO2 nanoparticles studied by single-molecule fluorescence spectroscopy Tachikawa, Takashi
 2007
 443 4-6 p. 313-318
6 p.
 artikel
30 New calculation method on the lifetime of the reactive scattering resonance states Wang, Huayang
 2007
 443 4-6 p. 369-373
5 p.
 artikel
31 On the cleavage process of the N-trifluoromethylsulfonyloxy-1,8-naphthalimide photoacid generator Malval, Jean-Pierre
 2007
 443 4-6 p. 323-327
5 p.
 artikel
32 On the insertion mechanism of molecular oxygen into a Pd(II)–H bond. Something to add Chowdhury, Sugata
 2007
 443 4-6 p. 183-189
7 p.
 artikel
33 On the nature of infrared absorbing trapped electron center in low-temperature ice-Ih Shkrob, Ilya A.
 2007
 443 4-6 p. 289-292
4 p.
 artikel
34 Phase coexistence in polydisperse mixture of hard-sphere colloidal and flexible chain particles Kalyuzhnyi, Yu.V.
 2007
 443 4-6 p. 243-247
5 p.
 artikel
35 Phase transition and molecular motion of cyclohexane confined in metal-organic framework, IRMOF-1, as studied by 2H NMR Ueda, Takahiro
 2007
 443 4-6 p. 293-297
5 p.
 artikel
36 Photoluminescence and electroluminescence properties of a samarium complex Sm(TTA)3phen Deng, Ruiping
 2007
 443 4-6 p. 258-263
6 p.
 artikel
37 Piezo- and thermo-switch investigation of the spin-crossover compound [Fe(PM-BiA)2(NCS)2] Tanasa, Radu
 2007
 443 4-6 p. 435-438
4 p.
 artikel
38 Polystyrene chains orientation: A rubbed and non-rubbed polymer comparative study Ghorbal, Achraf
 2007
 443 4-6 p. 352-355
4 p.
 artikel
39 Predicting nonlinear optical properties in push–pull molecules based on methyl pyridinium donor and 3-cyano-5,5-dimethyl-2(5H)-furanylidene-propanedinitrile acceptor units using vibrational spectroscopy and density functional theory McGoverin, Cushla M.
 2007
 443 4-6 p. 298-303
6 p.
 artikel
40 Quantal cumulant dynamics II: An efficient time-reversible integrator Shigeta, Yasuteru
 2007
 443 4-6 p. 414-419
6 p.
 artikel
41 Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase Zhang, Xuan
 2007
 443 4-6 p. 194-198
5 p.
 artikel
42 β-Scission of thioimidoyl radicals (R1–N–C S–R2): A theoretical scale of radical leaving group ability Guerra, D.
 2007
 443 4-6 p. 383-388
6 p.
 artikel
43 Single-walled carbon nanotubes with DNA recognition Yang, Wenrong
 2007
 443 4-6 p. 169-172
4 p.
 artikel
44 Size-dependent near-field coupling observed from InN nanodots grown on nitrided sapphire Stebounova, Larissa V.
 2007
 443 4-6 p. 333-336
4 p.
 artikel
45 Some aspects of spin-locking effect in nitrogen-14 quadrupolar spin-system Rudakov, T.N.
 2007
 443 4-6 p. 269-273
5 p.
 artikel
46 Space-selective precipitation of functional crystals in glass by using a high repetition rate femtosecond laser Dai, Ye
 2007
 443 4-6 p. 253-257
5 p.
 artikel
47 Structural and electronic properties of a trimetallic nanoparticle catalyst: Ru5PtSn Grönbeck, Henrik
 2007
 443 4-6 p. 337-341
5 p.
 artikel
48 Structure elucidation of lanthanide complexes by theoretical tools Freire, Ricardo O.
 2007
 443 4-6 p. 378-382
5 p.
 artikel
49 The barrier origin on the reaction of CO2 +OH− in aqueous solution Iida, Kenji
 2007
 443 4-6 p. 264-268
5 p.
 artikel
50 The C–O bond dissociation of naphthoxymethyl compounds in the higher triplet excited state using two-color two-laser flash photolysis Cai, Xichen
 2007
 443 4-6 p. 248-252
5 p.
 artikel
51 The fragmentation of ethanol cation under an electric field: An ab initio/RRKM study Lu, Hsiu-Feng
 2007
 443 4-6 p. 178-182
5 p.
 artikel
52 Theoretical designs for triplet ground-state carbenes: A target for experimental studies Gu, Sing-Yi
 2007
 443 4-6 p. 211-215
5 p.
 artikel
53 Theoretical study on the mechanism of the Cr O 2 + + C 2 H 4 reaction in gas phase Chen, Xiao-Xia
 2007
 443 4-6 p. 430-434
5 p.
 artikel
54 The origin of enhanced L10 chemical ordering in Ag-doped FePt nanoparticles Sung, Yun-Mo
 2007
 443 4-6 p. 319-322
4 p.
 artikel
55 The relaxation of vibrationally excited O2 molecules by atomic oxygen Esposito, Fabrizio
 2007
 443 4-6 p. 222-226
5 p.
 artikel
                             55 gevonden resultaten
 
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