| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of Ti-doped NaAlH4 clusters
|
Marashdeh, Ali
|
|
2006
|
426 |
1-3 |
p. 180-186
7 p.
|
artikel
|
| 2 |
A molecular dynamics study of surface structure of spherical SDS micelles
|
Yoshii, Noriyuki
|
|
2006
|
426 |
1-3 |
p. 66-70
5 p.
|
artikel
|
| 3 |
Analytical gradient of restricted second-order Møller–Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex
|
Rhee, Young Min
|
|
2006
|
426 |
1-3 |
p. 197-203
7 p.
|
artikel
|
| 4 |
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
|
Maragliano, Luca
|
|
2006
|
426 |
1-3 |
p. 168-175
8 p.
|
artikel
|
| 5 |
Blackbody-radiation-induced photodetachment of dipole-bound anions
|
Chernov, V.E.
|
|
2006
|
426 |
1-3 |
p. 30-32
3 p.
|
artikel
|
| 6 |
Chemical bonding and electronic structure of 4d-metal monocarbides
|
Wang, Jinping
|
|
2006
|
426 |
1-3 |
p. 141-147
7 p.
|
artikel
|
| 7 |
Coexistence of metastable nitric acid dihydrates: A molecular level contribution to understanding the formation of polar stratospheric clouds crystals
|
Natsheh, Anas Al
|
|
2006
|
426 |
1-3 |
p. 20-25
6 p.
|
artikel
|
| 8 |
Collision-energy-resolved angular distribution of Penning electrons for N2–He∗(23S)
|
Hanzawa, Yoshinori
|
|
2006
|
426 |
1-3 |
p. 43-48
6 p.
|
artikel
|
| 9 |
Comment on: ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Wolfgang Hieringer and Andreas Görling
|
Dreuw, Andreas
|
|
2006
|
426 |
1-3 |
p. 231-233
3 p.
|
artikel
|
| 10 |
Comment on ‘Modelling complexes of H2 molecules in fullerenes’ by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]
|
Turker, Lemi
|
|
2006
|
426 |
1-3 |
p. 222-223
2 p.
|
artikel
|
| 11 |
Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules
|
Bader, Richard F.W.
|
|
2006
|
426 |
1-3 |
p. 226-228
3 p.
|
artikel
|
| 12 |
Contents
|
|
|
2006
|
426 |
1-3 |
p. vii-xix
nvt p.
|
artikel
|
| 13 |
Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study
|
Qu, Xiaohui
|
|
2006
|
426 |
1-3 |
p. 13-19
7 p.
|
artikel
|
| 14 |
Dideuterium as solute in nematic liquid crystals
|
ter Beek, Leon C.
|
|
2006
|
426 |
1-3 |
p. 96-99
4 p.
|
artikel
|
| 15 |
Editorial Board
|
|
|
2006
|
426 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 16 |
Effect of laser field ellipticity on the rovibrational excitations of a diatomic molecule
|
Prasad, V.
|
|
2006
|
426 |
1-3 |
p. 8-12
5 p.
|
artikel
|
| 17 |
Enhanced stability of organic light-emitting devices fabricated under ultra-high vacuum condition
|
Ikeda, Takeshi
|
|
2006
|
426 |
1-3 |
p. 111-114
4 p.
|
artikel
|
| 18 |
EPR zero-field splitting parameters and structural distortion study of Mn2+-doped (CH3)4NCdCl3 crystal in high-temperature phases
|
Die, Dong
|
|
2006
|
426 |
1-3 |
p. 77-80
4 p.
|
artikel
|
| 19 |
First coupling between a LINAC and FT-IR spectroscopy: The aqueous ferrocyanide system
|
Le Caër, S.
|
|
2006
|
426 |
1-3 |
p. 71-76
6 p.
|
artikel
|
| 20 |
Formation mechanism, structural characterization, optical properties and photocatalytic activity of hierarchically arranged sisal-like ZnO architectures
|
Xu, Fen
|
|
2006
|
426 |
1-3 |
p. 129-134
6 p.
|
artikel
|
| 21 |
How O2 is activated on all-metal aromatic complex (Al4Ca) surface
|
Hu, Xingbang
|
|
2006
|
426 |
1-3 |
p. 39-42
4 p.
|
artikel
|
| 22 |
Hyper-Rayleigh scattering and continuum generation of salt induced aggregates of Silver nanoparticles: The effect of cation size (Li+, Na+ and K+)
|
Das, K.
|
|
2006
|
426 |
1-3 |
p. 155-158
4 p.
|
artikel
|
| 23 |
Interaction of a supersonic NO beam with a static and a resonant RF field: Measurement of rotationally resolved dipole moments
|
Caceres, J.O.
|
|
2006
|
426 |
1-3 |
p. 214-218
5 p.
|
artikel
|
| 24 |
Lattice vibration spectra and thermal properties of SrWO4 single crystal
|
Ling, Z.C.
|
|
2006
|
426 |
1-3 |
p. 85-90
6 p.
|
artikel
|
| 25 |
Linestrength of oxygen’s atmospheric transitions from absorption data. II. The 1.27-μm transition
|
Di Stefano, G.
|
|
2006
|
426 |
1-3 |
p. 49-52
4 p.
|
artikel
|
| 26 |
Linestrength of oxygen’s atmospheric transitions from absorption data. I. The A, B, and γ bands
|
Di Stefano, G.
|
|
2006
|
426 |
1-3 |
p. 33-38
6 p.
|
artikel
|
| 27 |
Local and non-local force analysis for Wigner function barrier scattering
|
Rowland, Brad A.
|
|
2006
|
426 |
1-3 |
p. 209-213
5 p.
|
artikel
|
| 28 |
Long-range periodic structure induced by coupling of the solvation effect and concentration fluctuation in water and 3-methylpyridine with salts
|
Sadakane, K.
|
|
2006
|
426 |
1-3 |
p. 61-65
5 p.
|
artikel
|
| 29 |
Low-temperature fabrication of MnFe2O4 octahedrons: Magnetic and electrochemical properties
|
Zhang, Dongen
|
|
2006
|
426 |
1-3 |
p. 120-123
4 p.
|
artikel
|
| 30 |
Modification of ground and excited states of 3-phenylureidoquinoline by encapsulation in surfactant assemblies
|
Panda, Debashis
|
|
2006
|
426 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 31 |
Multiple-quantum 13C solid-state NMR spectroscopy under moderate magic-angle spinning
|
Wi, Sungsool
|
|
2006
|
426 |
1-3 |
p. 187-191
5 p.
|
artikel
|
| 32 |
Non-equilibrium dynamics and structure of interfacial ice
|
Andreussi, Oliviero
|
|
2006
|
426 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 33 |
Optical properties of novel Er-containing co-polymers with emission at 1530nm
|
Pizzoferrato, R.
|
|
2006
|
426 |
1-3 |
p. 124-128
5 p.
|
artikel
|
| 34 |
pH Dependent binding of chlorin-p6 with phosphatidyl choline liposomes: Comparison between one and two-photon excited fluorescence
|
Jain, B.
|
|
2006
|
426 |
1-3 |
p. 163-167
5 p.
|
artikel
|
| 35 |
Photoacoustic spectroscopic analysis of photoinduced change in absorption of titanium(IV) oxide photocatalyst powders: A novel feasible technique for measurement of defect density
|
Murakami, Naoya
|
|
2006
|
426 |
1-3 |
p. 204-208
5 p.
|
artikel
|
| 36 |
Photodissociation dynamics of the S2 state of CH3ONO: LIF observation of nascent OH State distributions
|
Yue, Xian-fang
|
|
2006
|
426 |
1-3 |
p. 57-60
4 p.
|
artikel
|
| 37 |
Reply to Comment on ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Andreas Dreuw and Martin Head-Gordon
|
Hieringer, Wolfgang
|
|
2006
|
426 |
1-3 |
p. 234-236
3 p.
|
artikel
|
| 38 |
Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules
|
Martín Pendás, A.
|
|
2006
|
426 |
1-3 |
p. 229-230
2 p.
|
artikel
|
| 39 |
Reply to the ‘Comment on ‘Modelling complexes of H2 molecules in fullerenes’ by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]’ by L. Turker and S. Erkoc
|
Dodziuk, Helena
|
|
2006
|
426 |
1-3 |
p. 224-225
2 p.
|
artikel
|
| 40 |
Selective adsorption of first-row atoms on BN nanotubes
|
Li, Jia
|
|
2006
|
426 |
1-3 |
p. 148-154
7 p.
|
artikel
|
| 41 |
Simulation of resonant X-ray emission spectra of ethylene and benzene molecules
|
Ida, Tomonori
|
|
2006
|
426 |
1-3 |
p. 53-56
4 p.
|
artikel
|
| 42 |
Stereoelectronic interactions and their effects on conformational preference for 1,3-dithiane-1-oxide and 1,4-dithiane-1-oxide. A theoretical and experimental study
|
Gauze, Gisele F.
|
|
2006
|
426 |
1-3 |
p. 176-179
4 p.
|
artikel
|
| 43 |
Strong dependence of 10Dq on the metal–ligand distance: Key role played by the s–p hybridization on ligands
|
García-Fernández, P.
|
|
2006
|
426 |
1-3 |
p. 91-95
5 p.
|
artikel
|
| 44 |
Sub-5-fs spectroscopy of a thiophene derivative with a quinoid structure
|
Kobayashi, Takayoshi
|
|
2006
|
426 |
1-3 |
p. 105-110
6 p.
|
artikel
|
| 45 |
Substituent effects on the stability of para substituted benzyl radicals
|
Singh, Nakul K.
|
|
2006
|
426 |
1-3 |
p. 219-221
3 p.
|
artikel
|
| 46 |
Theoretical study of F−–(H2) n and Cl−–(H2) n (n =1–8) anion complexes
|
Nyulasi, Bálint
|
|
2006
|
426 |
1-3 |
p. 26-29
4 p.
|
artikel
|
| 47 |
Theoretical study on reaction of [(Ind∗)Rh(CO)2Me]BF4 with nbd
|
Bi, Siwei
|
|
2006
|
426 |
1-3 |
p. 192-196
5 p.
|
artikel
|
| 48 |
Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters
|
Li, Shujin
|
|
2006
|
426 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 49 |
Time-resolved ESR study on a long-lived radical-ion pair formed in the photoinduced electron-transfer reaction of xanthone and N,N-diethylaniline in 2-propanol
|
Ishigaki, Asako
|
|
2006
|
426 |
1-3 |
p. 81-84
4 p.
|
artikel
|
| 50 |
trans–cis Isomerism and acylimine formation in DsRed chromophore models: Intrinsic rotation barriers
|
Olsen, Seth
|
|
2006
|
426 |
1-3 |
p. 159-162
4 p.
|
artikel
|
| 51 |
Upconversion rate in Nd-doped Ta2O5 waveguides and influence on the cw laser performance
|
Lahoz, F.
|
|
2006
|
426 |
1-3 |
p. 135-140
6 p.
|
artikel
|
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