| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio direct dynamics studies on the reaction Br+SiH4
|
Zhang, Hui
|
|
2005
|
405 |
1-3 |
p. 240-245
6 p.
|
artikel
|
| 2 |
Adsorption configuration of NH3 on single-wall carbon nanotubes
|
Lu, Jing
|
|
2005
|
405 |
1-3 |
p. 90-92
3 p.
|
artikel
|
| 3 |
Aggregation and interactions of C60 and C70 fullerenes in neat N-methylpyrrolidinone and in N-methylpyrrolidinone/toluene mixtures
|
Alfè, M.
|
|
2005
|
405 |
1-3 |
p. 193-197
5 p.
|
artikel
|
| 4 |
A molecule wired: Electrostatic investigation
|
Hansen, Thorsten
|
|
2005
|
405 |
1-3 |
p. 118-122
5 p.
|
artikel
|
| 5 |
A new and facile route to ultrafine nanowires, superthin flakes and uniform nanodisks of nickel hydroxide
|
Chen, Deliang
|
|
2005
|
405 |
1-3 |
p. 159-164
6 p.
|
artikel
|
| 6 |
A theoretical investigation of small Si/C clusters by a combination of MM and QM method
|
Zhan, Huan
|
|
2005
|
405 |
1-3 |
p. 97-102
6 p.
|
artikel
|
| 7 |
A theoretical study of the structural and electronic properties of CdSe/CdS and CdS/CdSe core/shell nanoparticles
|
Sarkar, Pranab
|
|
2005
|
405 |
1-3 |
p. 103-107
5 p.
|
artikel
|
| 8 |
Chemisorption of Co on H-passivated Si(100) surface
|
Ma, Li
|
|
2005
|
405 |
1-3 |
p. 208-213
6 p.
|
artikel
|
| 9 |
Comparative calculations for the A-frame molecules [S(MPH3)2] (M=Cu, Ag, Au) at levels up to CCSD(T)
|
Riedel, Sebastian
|
|
2005
|
405 |
1-3 |
p. 148-152
5 p.
|
artikel
|
| 10 |
Density-functional calculations of atomic and molecular adsorptions on 55-atom metal clusters: Comparison with (111) surfaces
|
Okamoto, Yasuharu
|
|
2005
|
405 |
1-3 |
p. 79-83
5 p.
|
artikel
|
| 11 |
Dissociative electron attachment to formic acid
|
Prabhudesai, Vaibhav S.
|
|
2005
|
405 |
1-3 |
p. 172-176
5 p.
|
artikel
|
| 12 |
Editorial board
|
|
|
2005
|
405 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 13 |
Effects of an amphiphilic perfluoro-carboxylate on the J-aggregates of a long-chain merocyanine with chlorine substituent in the mixed monolayers and their mixed Langmuir–Blodgett films
|
Murata, Michio
|
|
2005
|
405 |
1-3 |
p. 32-38
7 p.
|
artikel
|
| 14 |
Electric-field perturbations of ring currents in π systems
|
Soncini, A.
|
|
2005
|
405 |
1-3 |
p. 136-141
6 p.
|
artikel
|
| 15 |
Electron charge redistribution upon hydride addition to carbonylic compounds
|
Mandado, Marcos
|
|
2005
|
405 |
1-3 |
p. 10-17
8 p.
|
artikel
|
| 16 |
Evidence for entropic effects in the dissociation of cationic sodium fluoride clusters
|
Bréchignac, C.
|
|
2005
|
405 |
1-3 |
p. 26-31
6 p.
|
artikel
|
| 17 |
Hybrid DIM-based QM/MM approach applied to vibrational spectra and trapping site structures of HArF in solid argon
|
Bochenkova, A.V.
|
|
2005
|
405 |
1-3 |
p. 165-171
7 p.
|
artikel
|
| 18 |
Intermolecular potential energy surfaces of weakly bound dimers computed from ab initio density functional theory: The right answer for the right reason
|
Lotrich, Victor F.
|
|
2005
|
405 |
1-3 |
p. 43-48
6 p.
|
artikel
|
| 19 |
Low↔high density transformations in ice
|
Umemoto, Koichiro
|
|
2005
|
405 |
1-3 |
p. 53-57
5 p.
|
artikel
|
| 20 |
Low-lying electronic states of the C6H5Cl+ ion studied using multiconfiguration wave functions
|
Li, Wen-Zuo
|
|
2005
|
405 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 21 |
Mass spectrometry and molecular modeling studies on the inclusion complexes between α,β-cyclodextrins and simvastatin
|
Wen, Xianhong
|
|
2005
|
405 |
1-3 |
p. 114-117
4 p.
|
artikel
|
| 22 |
Measurement of photolysis branching ratios of 2-bromopropane at 234 and 267nm
|
Zhu, Rongshu
|
|
2005
|
405 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 23 |
Molecular dynamics in smectic A and chiral smectic C phases by deuteron spin relaxation study
|
Dong, Ronald Y.
|
|
2005
|
405 |
1-3 |
p. 177-181
5 p.
|
artikel
|
| 24 |
Monte-Carlo simulations of photoinduced fluorescence enhancement in semiconductor quantum dot arrays
|
Maenosono, Shinya
|
|
2005
|
405 |
1-3 |
p. 182-186
5 p.
|
artikel
|
| 25 |
On the planarity of the tropolone molecule in the A ˜ 1 B 2 excited state: A time dependent DFT geometry optimisation
|
Casadesús, Ricard
|
|
2005
|
405 |
1-3 |
p. 187-192
6 p.
|
artikel
|
| 26 |
On the use of combinatory chemistry to the design of new luminescent Eu3+ complexes
|
Freire, Ricardo O.
|
|
2005
|
405 |
1-3 |
p. 123-126
4 p.
|
artikel
|
| 27 |
Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 method
|
Nunrium, Peerapol
|
|
2005
|
405 |
1-3 |
p. 198-202
5 p.
|
artikel
|
| 28 |
Photodissociation of silicon carbide cluster cations
|
Ticknor, B.W.
|
|
2005
|
405 |
1-3 |
p. 214-219
6 p.
|
artikel
|
| 29 |
Photoinduced electron transfer from dimethyl aniline to coumarin dyes in reverse micelles
|
Chakraborty, Anjan
|
|
2005
|
405 |
1-3 |
p. 18-25
8 p.
|
artikel
|
| 30 |
Resonance Raman spectra of NOCl: quantum dynamics study
|
Yamashita, Takefumi
|
|
2005
|
405 |
1-3 |
p. 142-147
6 p.
|
artikel
|
| 31 |
Ring-puckering and anomeric effect in coumaran
|
Ottaviani, Paolo
|
|
2005
|
405 |
1-3 |
p. 68-72
5 p.
|
artikel
|
| 32 |
Role of surface geometry and electronic structure in STM images of O/Ru(0001)
|
Corriol, C.
|
|
2005
|
405 |
1-3 |
p. 131-135
5 p.
|
artikel
|
| 33 |
Second virial coefficients of water beyond the conventional first-order quantum correction
|
Bustos Marún, Raúl A.
|
|
2005
|
405 |
1-3 |
p. 203-207
5 p.
|
artikel
|
| 34 |
Self-diffusion studies on PEO–PPO–PEO triblock copolymer micelles in SDS micelles and vice versa using cyclic voltammetry
|
James, Jilly
|
|
2005
|
405 |
1-3 |
p. 84-89
6 p.
|
artikel
|
| 35 |
Self-motion of soap at an oil–water interface
|
Nakata, Satoshi
|
|
2005
|
405 |
1-3 |
p. 39-42
4 p.
|
artikel
|
| 36 |
Study on electronic transport properties of WO3/TiO2 nanocrystalline thin films by photoassisted conductive atomic force microscopy
|
Wang, Shujie
|
|
2005
|
405 |
1-3 |
p. 63-67
5 p.
|
artikel
|
| 37 |
Synthesis and magnetic study for Ga1− x Mn x N whiskers
|
Liu, Baodan
|
|
2005
|
405 |
1-3 |
p. 127-130
4 p.
|
artikel
|
| 38 |
Synthesis, characterization and properties of novel BN nanocages from a single-source precursor
|
Yang, Zeheng
|
|
2005
|
405 |
1-3 |
p. 229-233
5 p.
|
artikel
|
| 39 |
Synthesis of assembled copper nanoparticles from copper-chelating glycolipid nanotubes
|
Zhu, Hongwei
|
|
2005
|
405 |
1-3 |
p. 49-52
4 p.
|
artikel
|
| 40 |
The emitting state of the imino nitroxide radical
|
Beaulac, Rémi
|
|
2005
|
405 |
1-3 |
p. 153-158
6 p.
|
artikel
|
| 41 |
The formation of long-lived fluorofullerene dianions by direct electrospray ionization
|
Drewello, Thomas
|
|
2005
|
405 |
1-3 |
p. 93-96
4 p.
|
artikel
|
| 42 |
The hydrogen molecule in strong electrostatic fields: A theoretical vibrational spectroscopy study
|
Toffolo, Francesco
|
|
2005
|
405 |
1-3 |
p. 108-113
6 p.
|
artikel
|
| 43 |
The optimal size of a globular protein domain: A simple sphere-packing model
|
Shen, Min-yi
|
|
2005
|
405 |
1-3 |
p. 224-228
5 p.
|
artikel
|
| 44 |
Theoretical calculation of the energy of formation of LiBH4
|
Frankcombe, Terry J.
|
|
2005
|
405 |
1-3 |
p. 73-78
6 p.
|
artikel
|
| 45 |
The valence shell binding energy spectra and the HOMO momentum profile of butanone by electron momentum spectroscopy
|
Li, G.Q.
|
|
2005
|
405 |
1-3 |
p. 220-223
4 p.
|
artikel
|
| 46 |
Time-dependent density functional approach to chemical reactions induced by electronic double excitations
|
Sawada, Takahiro
|
|
2005
|
405 |
1-3 |
p. 234-239
6 p.
|
artikel
|
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