| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative analysis of the electrophilicity of organic molecules between the computed IPs and EAs and the HOMO and LUMO energies
|
Domingo, Luis R.
|
|
2007
|
438 |
4-6 |
p. 341-345
5 p.
|
artikel
|
| 2 |
A fluctuating environment as a source of periodic modulation
|
Bianco, Simone
|
|
2007
|
438 |
4-6 |
p. 336-340
5 p.
|
artikel
|
| 3 |
An experimental and theoretical study of the reaction of ethanethiol with Cl atoms
|
Garzón, Andrés
|
|
2007
|
438 |
4-6 |
p. 184-189
6 p.
|
artikel
|
| 4 |
An investigation of the EPR zero-field splitting of Fe3+ ions at tetragonal sites in Tl2MgF4 and Tl2ZnF4 crystals
|
Jiao, Zhao-Yong
|
|
2007
|
438 |
4-6 |
p. 254-258
5 p.
|
artikel
|
| 5 |
A possible mechanism for pressure reversal of general anaesthetics from molecular simulations
|
Chau, P.-L.
|
|
2007
|
438 |
4-6 |
p. 294-297
4 p.
|
artikel
|
| 6 |
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins
|
Pieraccini, Stefano
|
|
2007
|
438 |
4-6 |
p. 298-303
6 p.
|
artikel
|
| 7 |
Author Index
|
|
|
2007
|
438 |
4-6 |
p. 360-366
7 p.
|
artikel
|
| 8 |
Catalytic activity of Ag/Pd bimetallic nanoparticles immobilized on quartz surfaces
|
Pergolese, Barbara
|
|
2007
|
438 |
4-6 |
p. 290-293
4 p.
|
artikel
|
| 9 |
Charge control of the water monolayer/Pd interface
|
Filhol, J.-S.
|
|
2007
|
438 |
4-6 |
p. 203-207
5 p.
|
artikel
|
| 10 |
‘Comment on ‘A novel experimental method: Electrochemical detection of phase transition in ferroelectric single crystals’, Chem. Phys. Lett. 384 (2004) 262 by K. Gatner and R. Jakubas’
|
Ćwikiel, K.
|
|
2007
|
438 |
4-6 |
p. 358-359
2 p.
|
artikel
|
| 11 |
Comparative reactivity of aminyl and aminoalkyl radicals
|
Lalevée, J.
|
|
2007
|
438 |
4-6 |
p. 346-350
5 p.
|
artikel
|
| 12 |
Complex resonance energy transfer in the LiH–Li system
|
Pichler, Marin
|
|
2007
|
438 |
4-6 |
p. 178-183
6 p.
|
artikel
|
| 13 |
Computational research of the electronic structure of benzene trimer cation by ab initio method
|
Mine, M.
|
|
2007
|
438 |
4-6 |
p. 157-161
5 p.
|
artikel
|
| 14 |
Contents
|
|
|
2007
|
438 |
4-6 |
p. iii-xiii
nvt p.
|
artikel
|
| 15 |
C–Si bond dissociation in highly excited triplet states of phenybenzylphenylsilanes studied by stepwise two-color laser photolysis in solution
|
Yamaji, Minoru
|
|
2007
|
438 |
4-6 |
p. 229-233
5 p.
|
artikel
|
| 16 |
Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory
|
Manohar, Prashant Uday
|
|
2007
|
438 |
4-6 |
p. 321-325
5 p.
|
artikel
|
| 17 |
Dynamics of O2 photodesorption from metal clusters: A significant difference from bulk behaviour
|
Niemietz, Marco
|
|
2007
|
438 |
4-6 |
p. 263-267
5 p.
|
artikel
|
| 18 |
Editorial Board
|
|
|
2007
|
438 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 19 |
Effective anchoring energy in dipolar organic film on metals surfaces
|
Iwamoto, Mitsumasa
|
|
2007
|
438 |
4-6 |
p. 244-248
5 p.
|
artikel
|
| 20 |
Effect of pH on absorption spectra of photogenerated holes in nanocrystalline TiO2 films
|
Yoshihara, Toshitada
|
|
2007
|
438 |
4-6 |
p. 268-273
6 p.
|
artikel
|
| 21 |
Electrical property and microstructure analysis of poly(vinylidene fluoride)-based composites with different conducting fillers
|
Xu, Hai-Ping
|
|
2007
|
438 |
4-6 |
p. 196-202
7 p.
|
artikel
|
| 22 |
Electronic states and stability of GeC2N radical
|
Chen, Guang-hui
|
|
2007
|
438 |
4-6 |
p. 162-168
7 p.
|
artikel
|
| 23 |
Fermi level pinning at interfaces with tetrafluorotetracyanoquinodimethane (F4-TCNQ): The role of integer charge transfer states
|
Braun, Slawomir
|
|
2007
|
438 |
4-6 |
p. 259-262
4 p.
|
artikel
|
| 24 |
First-principles calculations of N2O adsorption and decomposition on GaN (0001) surface
|
Hu, Chun-Li
|
|
2007
|
438 |
4-6 |
p. 213-217
5 p.
|
artikel
|
| 25 |
Formation of titanium-carbide in a nanospace of C78 fullerenes
|
Otani, Minoru
|
|
2007
|
438 |
4-6 |
p. 274-278
5 p.
|
artikel
|
| 26 |
How energy constraints on orbital angular momentum limit product j-distributions: The case of BaI from Ba+HI
|
McCaffery, Anthony J.
|
|
2007
|
438 |
4-6 |
p. 169-172
4 p.
|
artikel
|
| 27 |
Ionic dissociation of methanesulfonic acid in small water clusters
|
Li, Shujin
|
|
2007
|
438 |
4-6 |
p. 190-195
6 p.
|
artikel
|
| 28 |
Large scale vibrational Hamiltonian calculations on thiophosgene
|
Rashev, Svetoslav
|
|
2007
|
438 |
4-6 |
p. 153-156
4 p.
|
artikel
|
| 29 |
Local correlation measures and atomic shell structure
|
Sagar, Robin P.
|
|
2007
|
438 |
4-6 |
p. 330-335
6 p.
|
artikel
|
| 30 |
Modeling solution of flexible polyelectrolyte in explicit solvent
|
Kalyuzhnyi, Yu.V.
|
|
2007
|
438 |
4-6 |
p. 238-243
6 p.
|
artikel
|
| 31 |
Molecular orbital shift of perylenetetracarboxylic-dianhydride on gold
|
Kröger, J.
|
|
2007
|
438 |
4-6 |
p. 249-253
5 p.
|
artikel
|
| 32 |
Multi-frequency high-field EPR study of (H+)(e−) pairs localized at the surface of polycrystalline MgO
|
Chiesa, M.
|
|
2007
|
438 |
4-6 |
p. 285-289
5 p.
|
artikel
|
| 33 |
pH-Dependent formation of boehmite (γ-AlOOH) nanorods and nanoflakes
|
Chen, Xiang Ying
|
|
2007
|
438 |
4-6 |
p. 279-284
6 p.
|
artikel
|
| 34 |
2-(2′-Pyridyl)benzimidazole as a fluorescent probe for monitoring protein–surfactant interaction
|
Mukherjee, Tushar Kanti
|
|
2007
|
438 |
4-6 |
p. 218-223
6 p.
|
artikel
|
| 35 |
QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics
|
Chen, Jiahao
|
|
2007
|
438 |
4-6 |
p. 315-320
6 p.
|
artikel
|
| 36 |
Quantum oscillations in photo-excited triplet states in an external magnetic field
|
Yago, Tomoaki
|
|
2007
|
438 |
4-6 |
p. 351-357
7 p.
|
artikel
|
| 37 |
Reaction of 2-hydroxy-2-propyl radical with maleic and fumaric acids in aqueous solution: pH dependence
|
Wojnárovits, László
|
|
2007
|
438 |
4-6 |
p. 224-228
5 p.
|
artikel
|
| 38 |
Simulation of micelle of zwitterionic DSB in NaCl aqueous solution
|
Jun, Xu
|
|
2007
|
438 |
4-6 |
p. 326-329
4 p.
|
artikel
|
| 39 |
Simultaneous acquisition and effective separation of intermolecular multiple-quantum signals of different orders
|
Zhu, Xiaoqin
|
|
2007
|
438 |
4-6 |
p. 308-314
7 p.
|
artikel
|
| 40 |
Solvated electron spectrum in supercooled water and ice
|
Du, Yikui
|
|
2007
|
438 |
4-6 |
p. 234-237
4 p.
|
artikel
|
| 41 |
Study of hydrogen bonds in 1-methyluracil by DFT calculations of oxygen, nitrogen, and hydrogen quadrupole coupling constants and isotropic chemical shifts
|
Mirzaei, Mahmoud
|
|
2007
|
438 |
4-6 |
p. 304-307
4 p.
|
artikel
|
| 42 |
The geometries, absorption and fluorescence wavelengths of solvated fluorescent coumarins: A CIS and TD-DFT comparative study
|
Jacquemin, Denis
|
|
2007
|
438 |
4-6 |
p. 208-212
5 p.
|
artikel
|
| 43 |
Theoretical studies on structure, energetic and intramolecular proton transfer of alkannin
|
Liang, Yong H.
|
|
2007
|
438 |
4-6 |
p. 173-177
5 p.
|
artikel
|
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