| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio MO based lattice energy for molecular crystals: packing structure of electron donor–acceptor (EDA) complex H3N–BF3
|
Ikeda, Tohru
|
|
2003
|
370 |
1-2 |
p. 218-226
9 p.
|
artikel
|
| 2 |
A dimeric structure of eosin molecules on Au(111) surface
|
Su, Gui-Jin
|
|
2003
|
370 |
1-2 |
p. 268-273
6 p.
|
artikel
|
| 3 |
Adjustment of Perdew-Wang exchange functional for describing van der Waals and DNA base-stacking interactions
|
Kurita, Noriyuki
|
|
2003
|
370 |
1-2 |
p. 161-169
9 p.
|
artikel
|
| 4 |
Adsorption dynamics of CO on Pd(110): energy dependence, structure insensitivity and the role of the surface electronic structure
|
Hirsimäki, M
|
|
2003
|
370 |
1-2 |
p. 247-253
7 p.
|
artikel
|
| 5 |
Adsorption dynamics of GaCl on GaAs(001) 2×4 β2 : relaxation of molecules by collision on a highly corrugated surface
|
Ohashi, Masafumi
|
|
2003
|
370 |
1-2 |
p. 112-117
6 p.
|
artikel
|
| 6 |
A molecular-beam apparatus with a spray-jet technique for studying neutral non-volatile molecules
|
Yamada, Toshiki
|
|
2003
|
370 |
1-2 |
p. 132-138
7 p.
|
artikel
|
| 7 |
An ab initio investigation of the He–H2O complex
|
Calderoni, G
|
|
2003
|
370 |
1-2 |
p. 233-239
7 p.
|
artikel
|
| 8 |
Application of the stochastic tunneling method to high throughput database screening
|
Merlitz, H
|
|
2003
|
370 |
1-2 |
p. 68-73
6 p.
|
artikel
|
| 9 |
Coherent infrared–ultraviolet double-resonance spectroscopy of CH3
|
Settersten, Thomas B
|
|
2003
|
370 |
1-2 |
p. 204-210
7 p.
|
artikel
|
| 10 |
Dependence of the electronic transition moment for the C3Δ–X3Δ system of TiO on the internuclear distance
|
Namiki, Kei-ichi C
|
|
2003
|
370 |
1-2 |
p. 62-67
6 p.
|
artikel
|
| 11 |
Determination of dipole moment change on the electronic excitation of isolated Coumarin 153 by pendular-state spectroscopy
|
Kanya, Reika
|
|
2003
|
370 |
1-2 |
p. 211-217
7 p.
|
artikel
|
| 12 |
Direct growth of macroscopic fibers composed of large diameter SWNTs by CVD
|
Yang, Q.H
|
|
2003
|
370 |
1-2 |
p. 274-279
6 p.
|
artikel
|
| 13 |
Dynamics of ground-state reverse proton transfer in the 7-azaindole/carboxylic acid systems
|
Hu, Wei-Ping
|
|
2003
|
370 |
1-2 |
p. 139-146
8 p.
|
artikel
|
| 14 |
Editorial board
|
|
|
2003
|
370 |
1-2 |
p. IFC-
1 p.
|
artikel
|
| 15 |
Effective molecular polarizabilities and hyperpolarizabilities in all-trans hexatriene clusters
|
Botek, Edith
|
|
2003
|
370 |
1-2 |
p. 197-203
7 p.
|
artikel
|
| 16 |
Effect of halogen displacements on the exchange coupling in methyloxo-bridged binuclear copper (II) complexes: a density functional study
|
Sheng-Chang, Xiang
|
|
2003
|
370 |
1-2 |
p. 170-179
10 p.
|
artikel
|
| 17 |
Effect of surface methoxy groups on the 27Al quadrupole parameters of framework aluminum atoms in calcined zeolite H–Y
|
Wang, Wei
|
|
2003
|
370 |
1-2 |
p. 88-93
6 p.
|
artikel
|
| 18 |
Effects of oxygen atom in the side chain on physical and optical properties of dodecapentoxypentasilane
|
Kato, Haruhisa
|
|
2003
|
370 |
1-2 |
p. 154-160
7 p.
|
artikel
|
| 19 |
Electron capture dynamics of the water dimer: a direct ab initio dynamics study
|
Tachikawa, Hiroto
|
|
2003
|
370 |
1-2 |
p. 188-196
9 p.
|
artikel
|
| 20 |
Electronic states for excess electrons in polyethylene compared to long-chain alkanes
|
Cubero, David
|
|
2003
|
370 |
1-2 |
p. 21-25
5 p.
|
artikel
|
| 21 |
Enhanced off-resonance optical nonlinearities of Au@CdS core-shell nanoparticles embedded in BaTiO3 thin films
|
Yang, Yong
|
|
2003
|
370 |
1-2 |
p. 1-6
6 p.
|
artikel
|
| 22 |
Excited state dynamics studies of iron(III) phthalocyanine using femtosecond pump–probe techniques
|
Ma, Guohong
|
|
2003
|
370 |
1-2 |
p. 293-299
7 p.
|
artikel
|
| 23 |
Exploring the microscopic solvation of doubly charged anions: symmetric or asymmetric solvation in the CO2–(CH2)4–CO2 2−·(H2O)2 dicarboxylate dianion cluster?
|
Dessent, Caroline E.H
|
|
2003
|
370 |
1-2 |
p. 52-61
10 p.
|
artikel
|
| 24 |
Fundamental mechanisms of 3He relaxation on glass
|
Jacob, R.E
|
|
2003
|
370 |
1-2 |
p. 261-267
7 p.
|
artikel
|
| 25 |
Hyperconjugation versus intramolecular hydrogen bond: origin of the conformational preference of gaseous glycine
|
Wang, Weizhou
|
|
2003
|
370 |
1-2 |
p. 147-153
7 p.
|
artikel
|
| 26 |
Improved coupled perturbed Hartree–Fock and Kohn–Sham convergence acceleration
|
Weber, Valéry
|
|
2003
|
370 |
1-2 |
p. 99-105
7 p.
|
artikel
|
| 27 |
Ionization potential of large metallic clusters: explanation for the electrostatic paradox
|
Halas, Stanislaw
|
|
2003
|
370 |
1-2 |
p. 300-301
2 p.
|
artikel
|
| 28 |
Kinetic hysteresis in the CO oxidation reaction on Ir(111) surfaces
|
Wehner, S
|
|
2003
|
370 |
1-2 |
p. 126-131
6 p.
|
artikel
|
| 29 |
Laser-induced fluorescence and dispersed fluorescence spectroscopy, isotopic studies, and lifetime measurements for rhodium monoxide
|
Jensen, Roy H.
|
|
2003
|
370 |
1-2 |
p. 106-111
6 p.
|
artikel
|
| 30 |
Mass analyzed threshold ionization spectroscopy of p-methoxyaniline cation and influence of the OCH3 substituent
|
Lin, Jieli
|
|
2003
|
370 |
1-2 |
p. 44-51
8 p.
|
artikel
|
| 31 |
Matrix infrared spectra and density functional calculations of the Cu(C2H2)2 and CuCO(C2H2) molecules
|
Dong, Jian
|
|
2003
|
370 |
1-2 |
p. 240-246
7 p.
|
artikel
|
| 32 |
Memory of low magnetic fields in persistent spectral hole-burning of the 2 E←4 A 2 spin-flip transition in NaMgAl(oxalate)3·9H2O:Cr(III)
|
Riesen, Hans
|
|
2003
|
370 |
1-2 |
p. 26-31
6 p.
|
artikel
|
| 33 |
New docking CFF91 parameters specific for cyclodextrin inclusion complexes
|
Melani, F.
|
|
2003
|
370 |
1-2 |
p. 280-292
13 p.
|
artikel
|
| 34 |
17O NMR studies of sodalites
|
Loeser, T
|
|
2003
|
370 |
1-2 |
p. 32-38
7 p.
|
artikel
|
| 35 |
Photochemical formation of copper nanoparticles in poly(N-vinylpyrrolidone)
|
Kapoor, Sudhir
|
|
2003
|
370 |
1-2 |
p. 83-87
5 p.
|
artikel
|
| 36 |
Pr-induced superconductivity suppression in Y x Pr1−x Ba2Cu4O8 probed by soft-X-ray absorption spectroscopy: a comparative studies of Y x Pr1−xBa2Cu4O8 and YxPr1−xBa2Cu3O7
|
Chen, J.M.
|
|
2003
|
370 |
1-2 |
p. 180-187
8 p.
|
artikel
|
| 37 |
Pubisher’s note
|
|
|
2003
|
370 |
1-2 |
p. xi-
1 p.
|
artikel
|
| 38 |
Quasiquenching size effects in gold nanoclusters embedded in silica matrix
|
Dhara, S
|
|
2003
|
370 |
1-2 |
p. 254-260
7 p.
|
artikel
|
| 39 |
Statement to: “Studies on density function theory for the F−+CF3SO3CF2CF3SN2 reaction” [Chem. Phys. Lett. 364 (2002) 18]
|
Gao, Hongwei
|
|
2003
|
370 |
1-2 |
p. 302-
1 p.
|
artikel
|
| 40 |
Steric enhancement of the strength of intramolecular hydrogen bond in 3-Cl substituted 2-(N-dimethylaminomethyl) phenols
|
Lipkowski, P
|
|
2003
|
370 |
1-2 |
p. 74-82
9 p.
|
artikel
|
| 41 |
s-Tetrazine as a new binding unit in molecular recognition of anions
|
Garau, Carolina
|
|
2003
|
370 |
1-2 |
p. 7-13
7 p.
|
artikel
|
| 42 |
The excited multiplet states of 5,10,15-tri-n-pentyl-20-(1′,1′,3′,3′-tetramethylisoindolin-2′-yloxyl-5′-yl)porphyrinato zinc(II)
|
Ishii, Kazuyuki
|
|
2003
|
370 |
1-2 |
p. 94-98
5 p.
|
artikel
|
| 43 |
Theoretical study on PbS, PbO and their anions
|
Wu, Z.J.
|
|
2003
|
370 |
1-2 |
p. 39-43
5 p.
|
artikel
|
| 44 |
The response of a molecule to an external electric field: predicting structural and spectroscopic change
|
Jordan, Meredith J.T
|
|
2003
|
370 |
1-2 |
p. 14-20
7 p.
|
artikel
|
| 45 |
Time- vs. frequency-domain femtosecond surface sum frequency generation
|
Roke, Sylvie
|
|
2003
|
370 |
1-2 |
p. 227-232
6 p.
|
artikel
|
| 46 |
UV and IR photoisomerizations of an intramolecularly H-bonded molecule: acetylacetone trapped in nitrogen matrix
|
Coussan, S
|
|
2003
|
370 |
1-2 |
p. 118-125
8 p.
|
artikel
|
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