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                             36 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Accelerated ab initio molecular dynamics with response equation extrapolation Steele, Ryan P.
 2010
 500 1-3 p. 167-171
5 p.
 artikel
2 A far- and mid-infrared study of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under high pressure Pravica, Michael
 2010
 500 1-3 p. 28-34
7 p.
 artikel
3 Assignment of the He@C84 isomers in experimental NMR spectra using density functional calculations Štěpánek, Petr
 2010
 500 1-3 p. 54-58
5 p.
 artikel
4 A tale of two electrons: Correlation at high density Loos, Pierre-François
 2010
 500 1-3 p. 1-8
8 p.
 artikel
5 Atomic arrangement of copper atoms in a carbon nanotube channel under electromigration conditions Lim, M.C.G.
 2010
 500 1-3 p. 49-53
5 p.
 artikel
6 Atoms in Valence Bond – AiVB. Synopsis and test results Zielinski, Marcin
 2010
 500 1-3 p. 155-160
6 p.
 artikel
7 Computational study of cation influence on anion propensity for the air–water interface Cummings, Oneka T.
 2010
 500 1-3 p. 41-45
5 p.
 artikel
8 Contents 2010
 500 1-3 p. iii-xi
nvt p.
 artikel
9 Divide-and-conquer self-consistent field calculation for open-shell systems: Implementation and application Kobayashi, Masato
 2010
 500 1-3 p. 172-177
6 p.
 artikel
10 Doping effects on the electric response properties of silicon clusters: A global structure–property investigation of AlSi n −1 clusters (n =3–10) Karamanis, Panaghiotis
 2010
 500 1-3 p. 59-64
6 p.
 artikel
11 Editorial Board 2010
 500 1-3 p. IFC-
1 p.
 artikel
12 Graph theoretical approach to π-electron currents in polycyclic conjugated hydrocarbons Randić, Milan
 2010
 500 1-3 p. 123-127
5 p.
 artikel
13 Hydrophobic to hydrophilic transition of HF-treated Si surface during Langmuir–Blodgett film deposition Bal, J.K.
 2010
 500 1-3 p. 90-95
6 p.
 artikel
14 Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson–Boltzmann equation Watanabe, Hirofumi
 2010
 500 1-3 p. 116-119
4 p.
 artikel
15 Microsolvation of uracil anion radical in aqueous solution: a QM/MM study Brancato, Giuseppe
 2010
 500 1-3 p. 104-110
7 p.
 artikel
16 Nano-level wettings of platinum and palladium on single-walled carbon nanotubes Lee, S.
 2010
 500 1-3 p. 82-85
4 p.
 artikel
17 Nanosecond study of spin state transition induced by a single nanosecond laser shot on [Fe(NH2trz)3] compounds inside and outside their thermal hysteresis loops Galle, G.
 2010
 500 1-3 p. 18-22
5 p.
 artikel
18 Neutral cyanide complexes of iron: Structure and stability Redondo, Pilar
 2010
 500 1-3 p. 9-13
5 p.
 artikel
19 New parameterization of the PM3 method for monosaccharides Mane, Jonathan Y.
 2010
 500 1-3 p. 140-143
4 p.
 artikel
20 Non-Born–Oppenheimer MCTDH calculations on the confined H 2 + molecular ion Skouteris, Dimitris
 2010
 500 1-3 p. 144-148
5 p.
 artikel
21 Observation of water dissociation on nanometer-sized FeO islands grown on Pt(111) Wang, Wen
 2010
 500 1-3 p. 76-81
6 p.
 artikel
22 Onsager heat of transport of carbon dioxide at the surface of aqueous ammonia: The remarkable effect of carbamate formation Packwood, Daniel M.
 2010
 500 1-3 p. 120-122
3 p.
 artikel
23 On the Ewald summation of Gaussian charges for the simulation of metallic surfaces Gingrich, Todd R.
 2010
 500 1-3 p. 178-183
6 p.
 artikel
24 Partial energy gradient based on the fragment molecular orbital method: Application to geometry optimization Ishikawa, Takeshi
 2010
 500 1-3 p. 149-154
6 p.
 artikel
25 Photocatalytic water treatment over WO3 under visible light irradiation combined with ozonation Nishimoto, Shunsuke
 2010
 500 1-3 p. 86-89
4 p.
 artikel
26 Photocontrol of chiroptical properties of polydiacetylene carrying azobenzene in the side chain Jiang, Hao
 2010
 500 1-3 p. 100-103
4 p.
 artikel
27 Photophysical investigations and binding strength in supramolecular interaction of a newly designed diporphyrin tweezer with fullerenes C60 and C70 in solution Mukherjee, Sibayan
 2010
 500 1-3 p. 128-139
12 p.
 artikel
28 Quantification of thin graphene sheets contained in spherical aggregates of single-walled carbon nanohorns Irie, Michiko
 2010
 500 1-3 p. 96-99
4 p.
 artikel
29 Relaxation of the electronic states at a thin-layer YBa2Cu3O7/PrBa2Cu3O7 interface Gomez, Javier A.
 2010
 500 1-3 p. 71-75
5 p.
 artikel
30 Second Harmonic Generation, a new approach for analyzing the interfacial properties of a short tryptophan-rich peptide Matar, Gladys
 2010
 500 1-3 p. 161-166
6 p.
 artikel
31 Should carbon nanotubes be degasified before filling? Chaban, Vitaly
 2010
 500 1-3 p. 35-40
6 p.
 artikel
32 Spectral fine-tuning in excitonically coupled cyclic photosynthetic antennas Freiberg, Arvi
 2010
 500 1-3 p. 111-115
5 p.
 artikel
33 The influence of valence excitations on spectral distribution of vibrational excitations associated with C 1s photoionization in the CO molecule Krivosenko, Yu.S.
 2010
 500 1-3 p. 14-17
4 p.
 artikel
34 Theoretical study on pyrazinamide adsorption onto covalently functionalized (5,5) metallic single-walled carbon nanotube Saikia, Nabanita
 2010
 500 1-3 p. 65-70
6 p.
 artikel
35 The self-diffusion coefficient in metastable states of a Lennard–Jones fluid Baidakov, V.G.
 2010
 500 1-3 p. 23-27
5 p.
 artikel
36 ZnTe nanocrystal formation and growth control on UV-transparent substrate Dantas, Noelio Oliveira
 2010
 500 1-3 p. 46-48
3 p.
 artikel
                             36 gevonden resultaten
 
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