| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation of molecular hydrogen electronic states' properties: fine structure spin-spin constants
|
Spielfiedel, A.
|
|
2004
|
|
21-22 |
p. 2191-2200
|
artikel
|
| 2 |
Ab initio calculation of molecular hydrogen electronic states' properties: transition matrix elements among triplet electronic states
|
Spielfiedel, A.
|
|
2004
|
|
21-22 |
p. 2249-2258
|
artikel
|
| 3 |
A theoretical study of the electronically excited states in linear and cyclic [image omitted]
|
Gillery, Claire
|
|
2004
|
|
21-22 |
p. 2227-2236
|
artikel
|
| 4 |
Effect of the initial excitation of the intermolecular stretching mode in Ar-HBr photolysis
|
Prosmiti, R.
|
|
2004
|
|
21-22 |
p. 2269-2276
|
artikel
|
| 5 |
Fast Hartree-Fock theory using local density fitting approximations
|
Polly, Robert
|
|
2004
|
|
21-22 |
p. 2311-2321
|
artikel
|
| 6 |
HeBr2 complex: ground-state potential and vibrational dynamics from ab initio calculations
|
Valdes, Alvaro
|
|
2004
|
|
21-22 |
p. 2277-2283
|
artikel
|
| 7 |
High excitations in coupled-cluster series: vibrational energy levels of ammonia
|
Rajamaki, Timo
|
|
2004
|
|
21-22 |
p. 2297-2310
|
artikel
|
| 8 |
Interaction energies between aerosol precursors formed in the photo-oxidation of α-pinene
|
Sloth, Marianne
|
|
2004
|
|
21-22 |
p. 2361-2368
|
artikel
|
| 9 |
Inversion levels of H3O+ as a probe for the basis set convergence in traditional and explicitly correlated coupled-cluster calculations
|
Rajamaki, Timo
|
|
2004
|
|
21-22 |
p. 2259-2268
|
artikel
|
| 10 |
Large vibrational variational calculations using 'multimode' and an iterative diagonalization technique
|
Handy, Nicholas C.
|
|
2004
|
|
21-22 |
p. 2201-2205
|
artikel
|
| 11 |
On the role of the vibrational dependence of the intermolecular potential in O2(v)+ O2 Collisions
|
Dayou, Fabrice
|
|
2004
|
|
21-22 |
p. 2323-2334
|
artikel
|
| 12 |
Quantum stereodynamics of the F+OH(v, j) reactive collision on the 13 A'' state
|
Gonzalez-Sanchez, Lola
|
|
2004
|
|
21-22 |
p. 2381-2392
|
artikel
|
| 13 |
Rovibronic spectroscopy of the van der Waals complex He-HCl+
|
Dhont, G.
|
|
2004
|
|
21-22 |
p. 2285-2295
|
artikel
|
| 14 |
Statistical properties of energy levels in quantum reaction dynamics: a case study
|
Peroncelli, Leonardo
|
|
2004
|
|
21-22 |
p. 2345-2359
|
artikel
|
| 15 |
The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer
|
Celani, P.
|
|
2004
|
|
21-22 |
p. 2369-2379
|
artikel
|
| 16 |
Theoretical calculation of absorption intensities of C2H and C2D
|
Tarroni, Riccardo
|
|
2004
|
|
21-22 |
p. 2167-2179
|
artikel
|
| 17 |
Theoretical rovibrational line intensities in the electronic ground state of ozone
|
Diehr, Matthieu
|
|
2004
|
|
21-22 |
p. 2181-2189
|
artikel
|
| 18 |
Theoretical studies of electronic and dynamical processes in molecules and clusters THEONET II
|
Rosmus, Pavel
|
|
2004
|
|
21-22 |
p. 2165-2166
|
artikel
|
| 19 |
The vibrations and tunnelling of malonaldehyde on a Møller-Plesset surface
|
Tew, David P.
|
|
2004
|
|
21-22 |
p. 2217-2226
|
artikel
|
| 20 |
Time-dependent wavepacket calculations for the [image omitted] system on a LEPS surface: inelastic and reactive probabilities
|
Skouteris, Dimitris
|
|
2004
|
|
21-22 |
p. 2237-2248
|
artikel
|
| 21 |
Using on-top pair density for construction of correlation functionals for multideterminant wave functions
|
Gusarov, Sergey
|
|
2004
|
|
21-22 |
p. 2207-2216
|
artikel
|
| 22 |
Wave packet calculations for H2+H2 collisions: isotopic substitution effects
|
Hernandez, Marta I.
|
|
2004
|
|
21-22 |
p. 2335-2343
|
artikel
|
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