| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the singlet–triplet relative stability of 2,6-dibromo-2′,6′-bistrifluoromethyl-diphenylmethylene
|
Rodrı́guez, Elena
|
|
2004
|
303 |
1-2 |
p. 157-164
8 p.
|
artikel
|
| 2 |
A comparative icMRCI study of some NO+, NO and NO− electronic ground state properties
|
Polák, R
|
|
2004
|
303 |
1-2 |
p. 73-83
11 p.
|
artikel
|
| 3 |
A high energy exciton in polydiacetylene chains, involving electrons localized on the triple bond
|
Berréhar, J.
|
|
2004
|
303 |
1-2 |
p. 129-136
8 p.
|
artikel
|
| 4 |
Amino acid chemistry in solution: structural properties and vibrational dynamics of serine using density functional theory and a continuum solvent model
|
Ramı́rez, F.J.
|
|
2004
|
303 |
1-2 |
p. 85-96
12 p.
|
artikel
|
| 5 |
Application of the polarizability theory to the calculation of anisotropic circular dichroism spectra
|
Hache, François
|
|
2004
|
303 |
1-2 |
p. 197-203
7 p.
|
artikel
|
| 6 |
A selected ion flow tube study of the reactions of gas-phase cations with PSCl3
|
Critchley, Andrew D.J
|
|
2004
|
303 |
1-2 |
p. 235-241
7 p.
|
artikel
|
| 7 |
CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S2, NF, NS, and their ions
|
Czernek, Jiřı́
|
|
2004
|
303 |
1-2 |
p. 137-142
6 p.
|
artikel
|
| 8 |
13C NMR relaxation time measurements of macrocyclic ether complexes. Part XII: the association constants of benzo[15]crown-5 and benzo[12]crown-4 with NaClO4 ·H2O
|
Erk, Çakıl
|
|
2004
|
303 |
1-2 |
p. 115-120
6 p.
|
artikel
|
| 9 |
Editorial board
|
|
|
2004
|
303 |
1-2 |
p. IFC-
1 p.
|
artikel
|
| 10 |
First principle study of processes modifying the conductivity of substoichiometric SnO2 based materials upon adsorption of CO from atmosphere
|
Ciriaco, Fulvio
|
|
2004
|
303 |
1-2 |
p. 55-61
7 p.
|
artikel
|
| 11 |
Fragmentation of the valence electronic states of PSCl3 + studied by threshold photoelectron–photoion coincidence spectroscopy
|
Howle, Chris R
|
|
2004
|
303 |
1-2 |
p. 227-234
8 p.
|
artikel
|
| 12 |
Hula-twisting in green fluorescent protein
|
Baffour-Awuah, Nana Yaa A
|
|
2004
|
303 |
1-2 |
p. 7-11
5 p.
|
artikel
|
| 13 |
Influence of magnetic field on photoinduced electron transfer in non-Markovian solvents
|
Dodin, Dmitry V
|
|
2004
|
303 |
1-2 |
p. 63-72
10 p.
|
artikel
|
| 14 |
Laser-induced alkali atom desorption from thin sodium films on quartz prisms
|
Brewer, Jonathan
|
|
2004
|
303 |
1-2 |
p. 1-6
6 p.
|
artikel
|
| 15 |
Long-range charge transfer in periodic DNA through polaron diffusion
|
Chang, Chun-Min
|
|
2004
|
303 |
1-2 |
p. 189-196
8 p.
|
artikel
|
| 16 |
On the absorption and emission spectra for the purine chromophore in weakly perturbative environments
|
Catalán, J.
|
|
2004
|
303 |
1-2 |
p. 205-218
14 p.
|
artikel
|
| 17 |
Photodissociation dynamics of C2H5Br and n-C3H7Br in UV region
|
Tang, Bifeng
|
|
2004
|
303 |
1-2 |
p. 37-42
6 p.
|
artikel
|
| 18 |
Photo-double ionization of hydrogen iodide: experiment and theory
|
Yencha, Andrew J.
|
|
2004
|
303 |
1-2 |
p. 179-187
9 p.
|
artikel
|
| 19 |
Photoluminescence in small isotactic, atactic and syndiotactic PVA polymer molecules in water
|
Ram, Shanker
|
|
2004
|
303 |
1-2 |
p. 121-128
8 p.
|
artikel
|
| 20 |
Positron annihilation studies of hyper-cross-linked polystyrenes
|
He, Chunqing
|
|
2004
|
303 |
1-2 |
p. 219-226
8 p.
|
artikel
|
| 21 |
Production yields of H(D) atoms in the reaction of N2(a 1 Π g, ν=0) with H2 and D2
|
Umemoto, Hironobu
|
|
2004
|
303 |
1-2 |
p. 101-105
5 p.
|
artikel
|
| 22 |
Rate constant for H-atom tunneling in the fluorene–acridine system based on DFT potential energy surface
|
Trakhtenberg, L.I.
|
|
2004
|
303 |
1-2 |
p. 107-113
7 p.
|
artikel
|
| 23 |
Reaction of the C3 carbon cluster with benzene
|
Szczepanski, Jan
|
|
2004
|
303 |
1-2 |
p. 165-177
13 p.
|
artikel
|
| 24 |
Stabilization and destabilization effects of the electric field on stochastic precipitate pattern formation
|
Lagzi, István
|
|
2004
|
303 |
1-2 |
p. 151-155
5 p.
|
artikel
|
| 25 |
Tautomerism and polarizability in uracil: coupled cluster and density-functional theory study
|
Millefiori, S
|
|
2004
|
303 |
1-2 |
p. 27-36
10 p.
|
artikel
|
| 26 |
Temperature dependence of the positronium yields in polar and nonpolar pure liquids; an experimental test of a phenomenological model
|
Lévay, B.
|
|
2004
|
303 |
1-2 |
p. 97-100
4 p.
|
artikel
|
| 27 |
The examination of the hydroperoxy radical and its closed-shell “analogues” by means of topological methods of quantum chemistry: AIM and ELF
|
Bil, Andrzej
|
|
2004
|
303 |
1-2 |
p. 43-53
11 p.
|
artikel
|
| 28 |
Vibrational predissociation dynamics of the aniline–neon Van der Waals complex: an ab initio study
|
López-Tocón, I
|
|
2004
|
303 |
1-2 |
p. 143-150
8 p.
|
artikel
|
| 29 |
Vibrational spectra and UV photochemistry of (CH2)2O thin films and (CH2)2O in amorphous water ice
|
Schriver, A.
|
|
2004
|
303 |
1-2 |
p. 13-25
13 p.
|
artikel
|
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