| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
About the co-product of the OH radical in the reaction of acetyl with O2 below atmospheric pressure
|
Devolder, Pascal
|
|
2006
|
417 |
1-3 |
p. 154-158
5 p.
|
artikel
|
| 2 |
Adaptive density partitioning technique in the auxiliary plane wave method
|
Kurashige, Yuki
|
|
2006
|
417 |
1-3 |
p. 241-245
5 p.
|
artikel
|
| 3 |
A DFT study on the microscopic ionization of cysteine in water
|
Canle L., Moisés
|
|
2006
|
417 |
1-3 |
p. 28-33
6 p.
|
artikel
|
| 4 |
Adsorption of alkali metals on Ge(001)(2×1) surface
|
Xiao, H.Y.
|
|
2006
|
417 |
1-3 |
p. 6-10
5 p.
|
artikel
|
| 5 |
A Lu index for QSAR/QSPR studies
|
Lu, Chunhui
|
|
2006
|
417 |
1-3 |
p. 11-15
5 p.
|
artikel
|
| 6 |
A modified Ehrenfest method that achieves Boltzmann quantum state populations
|
Bastida, Adolfo
|
|
2006
|
417 |
1-3 |
p. 53-57
5 p.
|
artikel
|
| 7 |
An essential role of CO2 and H2O during single-walled CNT synthesis from carbon monoxide
|
Nasibulin, Albert G.
|
|
2006
|
417 |
1-3 |
p. 179-184
6 p.
|
artikel
|
| 8 |
A new nonlinear Raman probe for local structures in liquids and solutions
|
Shigeto, Shinsuke
|
|
2006
|
417 |
1-3 |
p. 149-153
5 p.
|
artikel
|
| 9 |
A new technique for cross polarization in solid-state NMR compatible with high spinning frequencies and high magnetic fields
|
Peng, Weng Kung
|
|
2006
|
417 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 10 |
A novel route to pH oscillators
|
McIlwaine, R.
|
|
2006
|
417 |
1-3 |
p. 39-42
4 p.
|
artikel
|
| 11 |
Atomic arrangement of Al-induced clusters on Si(001) surface at high temperature
|
Seo, J.H.
|
|
2006
|
417 |
1-3 |
p. 72-77
6 p.
|
artikel
|
| 12 |
A VB calculation for the excited 1 Σ u + bound state of the H2 molecule
|
Magnasco, Valerio
|
|
2006
|
417 |
1-3 |
p. 94-99
6 p.
|
artikel
|
| 13 |
DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane
|
Lee, E.P.F.
|
|
2006
|
417 |
1-3 |
p. 256-260
5 p.
|
artikel
|
| 14 |
Dipole and quadrupole (hyper)polarizability for the asymmetric stretching of carbon dioxide: Improved agreement between theory and experiment
|
Haskopoulos, Anastasios
|
|
2006
|
417 |
1-3 |
p. 235-240
6 p.
|
artikel
|
| 15 |
Dipole moments of water molecules confined in Na–LSX zeolites – Molecular dynamics simulations including polarization of water
|
Shirono, Katsuhiro
|
|
2006
|
417 |
1-3 |
p. 251-255
5 p.
|
artikel
|
| 16 |
Dynamics of a nanowire in twisted nematic liquid crystal
|
You, Chun-Lian
|
|
2006
|
417 |
1-3 |
p. 105-110
6 p.
|
artikel
|
| 17 |
Editorial Board
|
|
|
2006
|
417 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 18 |
Electron spin echo envelope modulation spectroscopy with g-value and orientation filters
|
Eichel, Rüdiger-A.
|
|
2006
|
417 |
1-3 |
p. 222-229
8 p.
|
artikel
|
| 19 |
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole
|
Gontrani, Lorenzo
|
|
2006
|
417 |
1-3 |
p. 200-205
6 p.
|
artikel
|
| 20 |
Erratum to ‘Hyper-Rayleigh scattering of neutral and charged helicenes’ [Chem. Phys. Lett. 412 (2005) 275]
|
Botek, Edith
|
|
2006
|
417 |
1-3 |
p. 282-
1 p.
|
artikel
|
| 21 |
Evaluation of nonlinear optical polymers for second-harmonic generation: toward the balance of absorption and nonlinearity against intrinsic trade-off
|
Kim, Min-su
|
|
2006
|
417 |
1-3 |
p. 277-281
5 p.
|
artikel
|
| 22 |
Evidence for a blue-shifting intramolecular hydrogen bond in the vibrational overtone spectrum of 1H-nonafluorobutane
|
Saar, Brian G.
|
|
2006
|
417 |
1-3 |
p. 159-163
5 p.
|
artikel
|
| 23 |
Free energy perturbation and dynamical nucleation study of water dimer and trimer through TIP5P water model
|
Liu, Jianzhong
|
|
2006
|
417 |
1-3 |
p. 63-71
9 p.
|
artikel
|
| 24 |
Growth control of homogeneous pulsed electrodeposited Co thin films on n-doped Si(111) substrates
|
Rastei, M.V.
|
|
2006
|
417 |
1-3 |
p. 217-221
5 p.
|
artikel
|
| 25 |
Hot band spectroscopy of CCO in the C–O stretching region: The (ν 1 +2ν 3)−2ν 3 and (2ν 1 + ν 3)−(ν 1 + ν 3) bands
|
Abusara, Z.
|
|
2006
|
417 |
1-3 |
p. 206-210
5 p.
|
artikel
|
| 26 |
Identifying spectator bonds in modeling reactions: OH+CO→H+CO2
|
Valero, Rosendo
|
|
2006
|
417 |
1-3 |
p. 43-47
5 p.
|
artikel
|
| 27 |
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms
|
Panek, Jarosław J.
|
|
2006
|
417 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 28 |
Ionic fragmentation processes of core-excited α-alanine in gas phase
|
Morita, M.
|
|
2006
|
417 |
1-3 |
p. 246-250
5 p.
|
artikel
|
| 29 |
Is solvated trans-azobenzene twisted or planar?
|
Briquet, Ludovic
|
|
2006
|
417 |
1-3 |
p. 190-195
6 p.
|
artikel
|
| 30 |
Laser-induced photo-catalytic removal of phenol using n-type WO3 semiconductor catalyst
|
Gondal, M.A.
|
|
2006
|
417 |
1-3 |
p. 124-127
4 p.
|
artikel
|
| 31 |
Lattice dynamics of single-bonded cubic nitrogen
|
Yu, H.L.
|
|
2006
|
417 |
1-3 |
p. 272-276
5 p.
|
artikel
|
| 32 |
Layer-selective epitaxial self-assembly of porphyrins on ultrathin insulators
|
Ramoino, L.
|
|
2006
|
417 |
1-3 |
p. 22-27
6 p.
|
artikel
|
| 33 |
Multi-phonon absorption spectra of dipicolinic acid
|
Kalugin, N.G.
|
|
2006
|
417 |
1-3 |
p. 261-265
5 p.
|
artikel
|
| 34 |
Oxidation of methionine methyl ester in aqueous solution: A combined pulse radiolysis and quantum chemical study
|
Shirdhonkar, M.
|
|
2006
|
417 |
1-3 |
p. 116-123
8 p.
|
artikel
|
| 35 |
Photodissociation of 2,2-diphenylhexamethyltrisilane in a supersonic molecular beam
|
Boo, Bong Hyun
|
|
2006
|
417 |
1-3 |
p. 83-88
6 p.
|
artikel
|
| 36 |
Photoionization of NO molecule in two-color femtosecond pulse laser fields
|
Wang, Sen-Ming
|
|
2006
|
417 |
1-3 |
p. 164-169
6 p.
|
artikel
|
| 37 |
Photo-luminescence studies of strontium barium niobate crystals doped with Cr3+ ions
|
Han, T.P.J.
|
|
2006
|
417 |
1-3 |
p. 196-199
4 p.
|
artikel
|
| 38 |
Raman and SERS investigation of isolated sp carbon chains
|
Lucotti, A.
|
|
2006
|
417 |
1-3 |
p. 78-82
5 p.
|
artikel
|
| 39 |
Reduced-dimensionality and direct trajectory calculations for the C(3 P J )+NH2(2B1) reaction
|
Takayanagi, Toshiyuki
|
|
2006
|
417 |
1-3 |
p. 143-148
6 p.
|
artikel
|
| 40 |
Related matrices of DNA primary sequences based on triplets of nucleic acid bases
|
Liu, Ying-zhao
|
|
2006
|
417 |
1-3 |
p. 173-178
6 p.
|
artikel
|
| 41 |
Revisiting the variational nature of the quantum theory of atoms in molecules
|
Martín Pendás, A.
|
|
2006
|
417 |
1-3 |
p. 16-21
6 p.
|
artikel
|
| 42 |
Selenium nanotube synthesized via a facile template-free hydrothermal method
|
Chen, Minghai
|
|
2006
|
417 |
1-3 |
p. 132-136
5 p.
|
artikel
|
| 43 |
Solid/liquid interfacial tension as a tool to study stability of lysozyme on adsorption to solid surfaces
|
Krishnan, C.A.
|
|
2006
|
417 |
1-3 |
p. 128-131
4 p.
|
artikel
|
| 44 |
Some aspects of metal-support strong interactions in Rh/Al2O3 catalyst under oxidising and reducing conditions
|
Zimowska, M.
|
|
2006
|
417 |
1-3 |
p. 137-142
6 p.
|
artikel
|
| 45 |
Substituent effect on the nonradiative decay rates from 3MLCT excited state of ruthenium(II) complexes: A quantum chemical treatment
|
Shinozaki, Kazuteru
|
|
2006
|
417 |
1-3 |
p. 111-115
5 p.
|
artikel
|
| 46 |
Suppression of undesired peaks due to residual intermolecular dipolar interactions in liquid NMR
|
Chen, Zhong
|
|
2006
|
417 |
1-3 |
p. 48-52
5 p.
|
artikel
|
| 47 |
Surface-enhanced Raman scattering of 4-mercaptopyridine on thin films of nanoscale Pd cubes, boxes, and cages
|
McLellan, Joseph M.
|
|
2006
|
417 |
1-3 |
p. 230-234
5 p.
|
artikel
|
| 48 |
Te n S 4 + (n =1–4) clusters in the gas phase
|
David Jaba Singh, D.M.
|
|
2006
|
417 |
1-3 |
p. 34-38
5 p.
|
artikel
|
| 49 |
The effect of stoichiometry on ab initio-based thermochemistry predictions
|
Fishtik, Ilie
|
|
2006
|
417 |
1-3 |
p. 185-189
5 p.
|
artikel
|
| 50 |
The morphology of thin water films on Pt(111) probed by chloroform adsorption
|
Zimbitas, G.
|
|
2006
|
417 |
1-3 |
p. 1-5
5 p.
|
artikel
|
| 51 |
Time-resolved EPR and laser photolysis investigations of photoinduced ω-bond dissociation in an aromatic carbonyl compound having triplet π,π* character
|
Yamaji, Minoru
|
|
2006
|
417 |
1-3 |
p. 211-216
6 p.
|
artikel
|
| 52 |
Transient absorption in fused silica induced by trains of high-energy electron pulses
|
Janata, E.
|
|
2006
|
417 |
1-3 |
p. 170-172
3 p.
|
artikel
|
| 53 |
Ultrafast ring opening reaction of a photochromic indolyl-fulgimide
|
Malkmus, S.
|
|
2006
|
417 |
1-3 |
p. 266-271
6 p.
|
artikel
|
| 54 |
Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides
|
Matsumoto, M.
|
|
2006
|
417 |
1-3 |
p. 89-93
5 p.
|
artikel
|
Tijdschrift beschrijving