| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and direct dynamics study on the hydrogen abstraction reaction C2H3 +HCHO
|
Zhang, Yue
|
|
2004
|
306 |
1-3 |
p. 51-56
6 p.
|
artikel
|
| 2 |
Absorption anisotropy studies of polymethine dyes
|
Lepkowicz, Richard S.
|
|
2004
|
306 |
1-3 |
p. 171-183
13 p.
|
artikel
|
| 3 |
A Davidson technique for the computation of dispersion constants: Full CI results for Be and LiH
|
Bendazzoli, Gian Luigi
|
|
2004
|
306 |
1-3 |
p. 153-161
9 p.
|
artikel
|
| 4 |
A density functional study of backbone structures of polydiacetylene: destabilization of butatriene structure
|
Katagiri, Hideki
|
|
2004
|
306 |
1-3 |
p. 191-200
10 p.
|
artikel
|
| 5 |
A density functional theory study on the molecular mechanism of the cycloaddition between (E)-methyl cinnamate and cyclopentadiene
|
Alves, C.N.
|
|
2004
|
306 |
1-3 |
p. 35-41
7 p.
|
artikel
|
| 6 |
A study of the valence shell spectroscopic and thermodynamic properties of thiophene by photoabsorption and photoion spectroscopy
|
Rennie, E.E.
|
|
2004
|
306 |
1-3 |
p. 295-308
14 p.
|
artikel
|
| 7 |
A theoretical study of diazirine (H2CN2), diazirinyl radical (HCN2) and their related cations ( H 2 CN 2 + , HCN 2 + ) : molecular structure, energetics and ionization potential
|
Puzzarini, Cristina
|
|
2004
|
306 |
1-3 |
p. 131-141
11 p.
|
artikel
|
| 8 |
A theoretical study on clusters of benzoic acid–water in benzene solutions
|
Sagarik, Kritsana
|
|
2004
|
306 |
1-3 |
p. 1-12
12 p.
|
artikel
|
| 9 |
Author index
|
|
|
2004
|
306 |
1-3 |
p. 325-328
4 p.
|
artikel
|
| 10 |
Basic hydrolysis of formamide in aqueous solution: a reliable theoretical calculation of the activation free energy using the cluster-continuum model
|
Pliego Jr., Josefredo R.
|
|
2004
|
306 |
1-3 |
p. 273-280
8 p.
|
artikel
|
| 11 |
C100 IPR fullerenes: temperature-dependent relative stabilities based on the Gibbs function
|
Zhao, Xiang
|
|
2004
|
306 |
1-3 |
p. 93-104
12 p.
|
artikel
|
| 12 |
Computed electronic and vibrational spectra of the most stable isomers of C48N12 azafullerene
|
Emanuele, Emanuela
|
|
2004
|
306 |
1-3 |
p. 315-324
10 p.
|
artikel
|
| 13 |
Deuterium substitution study on solvation dynamics of liquid poly(ethylene glycol)s
|
Shirota, Hideaki
|
|
2004
|
306 |
1-3 |
p. 43-50
8 p.
|
artikel
|
| 14 |
DFT study of the intramolecular hydrogen bonds in the amino and nitro-derivatives of malonaldehyde
|
Buemi, Giuseppe
|
|
2004
|
306 |
1-3 |
p. 115-129
15 p.
|
artikel
|
| 15 |
Editorial board
|
|
|
2004
|
306 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 16 |
Effect of dispersion forces on the potential of charged interfaces
|
Woelki, Stefan
|
|
2004
|
306 |
1-3 |
p. 209-217
9 p.
|
artikel
|
| 17 |
Exploring the potential energy surface for proton transfer in acetylacetone
|
Matanović, Ivana
|
|
2004
|
306 |
1-3 |
p. 201-207
7 p.
|
artikel
|
| 18 |
Halomethylpyrroles as candidate monomers for conducting polymers: a theoretical study
|
Sabzyan, Hassan
|
|
2004
|
306 |
1-3 |
p. 105-113
9 p.
|
artikel
|
| 19 |
H2CS–C6H6 cluster effects in the S–T conversion dynamics of H2CS excited to individual rotational levels of the ( X ˜ 1 A 1 ← A ˜ 1 A 2 ) 0 0 0 electron-vibrational transition: OD EPR studies
|
Makarov, Vladimir I.
|
|
2004
|
306 |
1-3 |
p. 13-24
12 p.
|
artikel
|
| 20 |
Morphology and stability in a half-metallic ferromagnetic CrO2 compound of nanoparticles synthesized via a polymer precursor
|
Biswas, S.
|
|
2004
|
306 |
1-3 |
p. 163-169
7 p.
|
artikel
|
| 21 |
NMR study of the leaving ligand and solvent effects on the solvolysis of (μ-oxo)bis(μ-acetato)diruthenium(III) complexes
|
Santos, Joana Mara
|
|
2004
|
306 |
1-3 |
p. 143-151
9 p.
|
artikel
|
| 22 |
14N nuclear quadrupole resonance in solid 4,4′-azoxyanisole and 4,4′-bis(heptyloxy)azoxybenzene
|
Seliger, J.
|
|
2004
|
306 |
1-3 |
p. 309-314
6 p.
|
artikel
|
| 23 |
Second-order optical effects in several pyrazolo-quinoline derivatives
|
Makowska-Janusik, M.
|
|
2004
|
306 |
1-3 |
p. 265-271
7 p.
|
artikel
|
| 24 |
Structural investigation of liquid formic acid by neutron diffraction. II: Isotopic substitution for DCOO[H/D]
|
Bakó, Imre
|
|
2004
|
306 |
1-3 |
p. 241-251
11 p.
|
artikel
|
| 25 |
Subject index
|
|
|
2004
|
306 |
1-3 |
p. 329-337
9 p.
|
artikel
|
| 26 |
Temporal and spectral optimization course analysis of coherent control experiments
|
Weber, S.M.
|
|
2004
|
306 |
1-3 |
p. 287-293
7 p.
|
artikel
|
| 27 |
The (Lb)S1 ←S0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio study
|
Philis, John G.
|
|
2004
|
306 |
1-3 |
p. 253-263
11 p.
|
artikel
|
| 28 |
Theoretical studies on carbonyl halide–water complexes
|
Tanaka, Nobuaki
|
|
2004
|
306 |
1-3 |
p. 25-34
10 p.
|
artikel
|
| 29 |
Theory of profiles of hydrogen bond stretching vibrations: Fermi–Davydov resonances in hydrogen-bonded crystals
|
Yaremko, A.M.
|
|
2004
|
306 |
1-3 |
p. 57-70
14 p.
|
artikel
|
| 30 |
Time-resolved entanglement of bound and dissociative atoms and molecules
|
Mishima, K.
|
|
2004
|
306 |
1-3 |
p. 219-227
9 p.
|
artikel
|
| 31 |
Transient behavior of 2-(2′,4′-dinitrobenzyl)pyridine photochromism studied by ultrafast laser spectroscopy
|
Mitra, S.
|
|
2004
|
306 |
1-3 |
p. 185-189
5 p.
|
artikel
|
| 32 |
Transport properties of some polyatomic gases from isotropic and effective pair potential energies (Part II)
|
Moghadasi, Jalil
|
|
2004
|
306 |
1-3 |
p. 229-240
12 p.
|
artikel
|
| 33 |
Vibrational contributions to the dynamic electric properties of the NaF molecule
|
Pessoa, Renato
|
|
2004
|
306 |
1-3 |
p. 281-286
6 p.
|
artikel
|
| 34 |
Vibrational study, crystal structure and quantum calculations of 2,2′-azobipyridine and 4,4′-dimethyl-3,3′-dinitro-2,2′-azobipyridine
|
Kucharska, E.
|
|
2004
|
306 |
1-3 |
p. 71-92
22 p.
|
artikel
|
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