| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods
|
Piecuch, Piotr
|
|
1994
|
230 |
4-5 |
p. 377-386
10 p.
|
artikel
|
| 2 |
A theoretical study of the reaction of P+ with water
|
Flores, Jesús R.
|
|
1994
|
230 |
4-5 |
p. 358-364
7 p.
|
artikel
|
| 3 |
Broadband polarization-transfer experiments for rotating solids
|
Baldus, M.
|
|
1994
|
230 |
4-5 |
p. 329-336
8 p.
|
artikel
|
| 4 |
Calculation of the electron distribution of the YBa2Cu3O7 cluster using a SCF Madelung potential
|
Li, Jiabo
|
|
1994
|
230 |
4-5 |
p. 414-418
5 p.
|
artikel
|
| 5 |
Density matrix description of laser-induced hot electron mediated photodesorption of NO from Pt(111)
|
Saalfrank, Peter
|
|
1994
|
230 |
4-5 |
p. 463-472
10 p.
|
artikel
|
| 6 |
Difficulties in the calculation of electron spin resonance parameters using density functional methods
|
Suter, H.U.
|
|
1994
|
230 |
4-5 |
p. 398-404
7 p.
|
artikel
|
| 7 |
Excited states of a hydrated electron and aqueous chloride by computer simulation
|
Borgis, Daniel
|
|
1994
|
230 |
4-5 |
p. 405-413
9 p.
|
artikel
|
| 8 |
Heat of formation determination of the ground and excited state of cyanomethylene (HCCN) radical
|
Francisco, Joseph S.
|
|
1994
|
230 |
4-5 |
p. 372-376
5 p.
|
artikel
|
| 9 |
Inter- and intra-molecular two-centre three-electron bonding in radical cations of alkyl bromides
|
Maity, D.K.
|
|
1994
|
230 |
4-5 |
p. 351-357
7 p.
|
artikel
|
| 10 |
Ionic and neutral characters in the singlet and triplet reaction potential surfaces of Mg-CO2
|
Jeung, Gwang-Hi
|
|
1994
|
230 |
4-5 |
p. 365-371
7 p.
|
artikel
|
| 11 |
Mass spectrometric investigation of the thermodynamic properties of the Si5 molecule
|
Ran, Qingsheng
|
|
1994
|
230 |
4-5 |
p. 337-342
6 p.
|
artikel
|
| 12 |
Nonlocal correlation functional involving the Laplacian of the density
|
Proynov, E.I.
|
|
1994
|
230 |
4-5 |
p. 419-428
10 p.
|
artikel
|
| 13 |
On the nonlinear manifold energy variation method and excited state calculations
|
Pathak, R.K.
|
|
1994
|
230 |
4-5 |
p. 437-442
6 p.
|
artikel
|
| 14 |
Preparation and characterization of DABCOδ+ x -Cδ− 60(y) charge transfer complex
|
Priyadarsini, K.I.
|
|
1994
|
230 |
4-5 |
p. 317-321
5 p.
|
artikel
|
| 15 |
Spectral diffusion induced by the spatial motion of point perturbers
|
Kikas, J.
|
|
1994
|
230 |
4-5 |
p. 429-436
8 p.
|
artikel
|
| 16 |
Static and dynamic second hyperpolarizabilities of substituted push-pull polyenes
|
Matsuzaki, Yoichi
|
|
1994
|
230 |
4-5 |
p. 443-450
8 p.
|
artikel
|
| 17 |
Structure determination using X-ray fluorescence interferometry
|
Ma, Yanjun
|
|
1994
|
230 |
4-5 |
p. 451-455
5 p.
|
artikel
|
| 18 |
Sub-picosecond transient grating measurements of the resonant energy transfer in cresyl violet solutions
|
Schneider, Siegfried
|
|
1994
|
230 |
4-5 |
p. 343-350
8 p.
|
artikel
|
| 19 |
Temperature dependence of fluorescence lifetime of 2-naphthol in ice (Ih) crystal
|
Qi, Ping
|
|
1994
|
230 |
4-5 |
p. 322-328
7 p.
|
artikel
|
| 20 |
The Cr2 potential energy curve studied with multiconfigurational second-order perturbation theory
|
Andersson, K.
|
|
1994
|
230 |
4-5 |
p. 391-397
7 p.
|
artikel
|
| 21 |
Theoretical modelling of metal oxides. Influence of field strength on atomic oxygen adsorption and a simple model reaction: Oads+CO → CO2
|
Nygren, Martin A.
|
|
1994
|
230 |
4-5 |
p. 456-462
7 p.
|
artikel
|
| 22 |
Theoretical study of the 1 J(13C13C) indirect nuclear spin-spin coupling constant of the bridgehead bond in [1.1.1]propellane and related systems
|
Galasso, V.
|
|
1994
|
230 |
4-5 |
p. 387-390
4 p.
|
artikel
|
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