| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate small split-valence 3-21SP and 4-22SP basis sets for the first-row atoms
|
Mitin, Alexander V.
|
|
1996
|
259 |
1-2 |
p. 151-158
8 p.
|
artikel
|
| 2 |
A modified pairwise-energy model applied to exothermic ion-molecule reactions
|
Song, Ju-Beom
|
|
1996
|
259 |
1-2 |
p. 91-95
5 p.
|
artikel
|
| 3 |
An ab initio study on the equilibrium structure and torsional potential energy function of disulfane
|
Koput, Jacek
|
|
1996
|
259 |
1-2 |
p. 146-150
5 p.
|
artikel
|
| 4 |
An imperfect packing of CCl4 molecules confined in a graphic slit nanospace
|
Iiyama, T.
|
|
1996
|
259 |
1-2 |
p. 37-40
4 p.
|
artikel
|
| 5 |
An unusually small muon-electron coupling constant — muonium addition to biacetyl
|
Macrae, R.M.
|
|
1996
|
259 |
1-2 |
p. 103-112
10 p.
|
artikel
|
| 6 |
Assigning vibrational spectra of highly excited molecules: classical and quantum vibrational dynamics of the H2O molecule
|
Keshavamurthy, Shihari
|
|
1996
|
259 |
1-2 |
p. 81-90
10 p.
|
artikel
|
| 7 |
Assignment of the two lowest valence transitions of 1,1′-bicyclohexylidene: an ab initio MRD-CI investigation
|
Hoogesteger, Frans J.
|
|
1996
|
259 |
1-2 |
p. 178-184
7 p.
|
artikel
|
| 8 |
Bromomalonic acid as a source of photochemically produced Br− ion in the Ru(bpy)3 2+-catalyzed Belousov-Zhabotinsky reaction
|
Yamaguchi, Tomohiko
|
|
1996
|
259 |
1-2 |
p. 219-224
6 p.
|
artikel
|
| 9 |
CaH emission from Ca excited in its metastable state 4s4p 3P
|
Fabre, G.
|
|
1996
|
259 |
1-2 |
p. 237-240
4 p.
|
artikel
|
| 10 |
Car-Parrinello simulation of NH3 adsorbed on the MgO(100) surface
|
Langel, Walter
|
|
1996
|
259 |
1-2 |
p. 7-14
8 p.
|
artikel
|
| 11 |
Cavity ringdown spectroscopy of molecular ions: A 2Π u ← X 2Σ g + (6−0) transition of N2 +
|
Kotterer, M.
|
|
1996
|
259 |
1-2 |
p. 233-236
4 p.
|
artikel
|
| 12 |
Chlorinated ethanes in aqueous solution: parameterization based on thermodynamics of hydration
|
Paulsen, M.D.
|
|
1996
|
259 |
1-2 |
p. 142-145
4 p.
|
artikel
|
| 13 |
Collective electronic oscillators for nonlinear optical response of conjugated molecules
|
Tretiak, Sergei
|
|
1996
|
259 |
1-2 |
p. 55-61
7 p.
|
artikel
|
| 14 |
Correlated capped subsystem calculations as a way to include electron correlation locally: a test for substituent effects on bond energies
|
Coitiño, Elena Laura
|
|
1996
|
259 |
1-2 |
p. 159-164
6 p.
|
artikel
|
| 15 |
Density functional calculations with configuration interaction for the excited states of molecules
|
Grimme, Stefan
|
|
1996
|
259 |
1-2 |
p. 128-137
10 p.
|
artikel
|
| 16 |
Editorial Board
|
|
|
1996
|
259 |
1-2 |
p. ii-
1 p.
|
artikel
|
| 17 |
Electronic structure of endohedral Y@C82; an ab initio Hartree-Fock investigation
|
Schulte, Joachim
|
|
1996
|
259 |
1-2 |
p. 48-54
7 p.
|
artikel
|
| 18 |
Elucidation of the structural characteristics of the isovalent species Li[CO] and Li[CS] by ab anitio calculations
|
Kalemos, Apostolos
|
|
1996
|
259 |
1-2 |
p. 185-192
8 p.
|
artikel
|
| 19 |
Hybridization effect on chemical potential and hardness — a quantum chemical study
|
Kolandaivel, P.
|
|
1996
|
259 |
1-2 |
p. 138-141
4 p.
|
artikel
|
| 20 |
Intramolecular electron-transfer dynamics in the inverted regime: quantum mechanical multi-mode model including dissipation
|
Wolfseder, Brigitte
|
|
1996
|
259 |
1-2 |
p. 113-118
6 p.
|
artikel
|
| 21 |
Kinetic contribution to the correlation energy density: benchmark to T c[n] energy functionals
|
Süle, Péter
|
|
1996
|
259 |
1-2 |
p. 69-80
12 p.
|
artikel
|
| 22 |
Low-lying stationary states of Si3H and its anion
|
Kalcher, Josef
|
|
1996
|
259 |
1-2 |
p. 165-172
8 p.
|
artikel
|
| 23 |
Memory effects during collisional energy transfer from highly excited CS2
|
Chimbayo, Alexander
|
|
1996
|
259 |
1-2 |
p. 225-232
8 p.
|
artikel
|
| 24 |
Microcalorimetric study of ethylene adsorption on the Pt{111} surface
|
Yeo, Y.Y.
|
|
1996
|
259 |
1-2 |
p. 28-36
9 p.
|
artikel
|
| 25 |
NH3 on the MgO{100} surface: spectroscopic evidence of coupled internal and centre of mass quantum rotation
|
Havighorst, M.
|
|
1996
|
259 |
1-2 |
p. 1-6
6 p.
|
artikel
|
| 26 |
On the evaluation of two-electron integrals in Hylleraas coordinates
|
Yan, Zong-Chao
|
|
1996
|
259 |
1-2 |
p. 96-102
7 p.
|
artikel
|
| 27 |
On the interpretation of the NEXAFS spectrum of molecular oxygen
|
Ågren, Hans
|
|
1996
|
259 |
1-2 |
p. 21-27
7 p.
|
artikel
|
| 28 |
Photoabsorption and photoassociation into the XeF(B) excimer state
|
Pavlenko, V.S.
|
|
1996
|
259 |
1-2 |
p. 204-212
9 p.
|
artikel
|
| 29 |
Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization
|
Sobolewski, Andrzej L.
|
|
1996
|
259 |
1-2 |
p. 119-127
9 p.
|
artikel
|
| 30 |
(3 + 1) resonance enhanced multiphoton ionization-photoelectron spectroscopy on the E, F, and G Rydberg states of ClO
|
Wales, N.P.L.
|
|
1996
|
259 |
1-2 |
p. 213-218
6 p.
|
artikel
|
| 31 |
Resonance Raman study of Franck-Condon effects in the C10H8 + radical. Ab initio MCSCF calculations for the low-energy 2B2g and 2B3g symmetry states
|
Andruniow, Tadeusz
|
|
1996
|
259 |
1-2 |
p. 193-198
6 p.
|
artikel
|
| 32 |
Second harmonic generation from the surface of centrosymmetric particles in bulk solution
|
Wang, H.
|
|
1996
|
259 |
1-2 |
p. 15-20
6 p.
|
artikel
|
| 33 |
Strong bonding in a doubly excited valence state of a van der Waals molecule
|
Leung, Allen W.K.
|
|
1996
|
259 |
1-2 |
p. 199-203
5 p.
|
artikel
|
| 34 |
Theoretical study of rapid topomerization in tetracyclo[4.4.4.4]-1-bora-3,5-diazapentane
|
Minyaev, Ruslan M.
|
|
1996
|
259 |
1-2 |
p. 173-177
5 p.
|
artikel
|
| 35 |
Vapor-phase self-assembly of carbon nanomaterials
|
Kiang, C.-H.
|
|
1996
|
259 |
1-2 |
p. 41-47
7 p.
|
artikel
|
| 36 |
Vibrational line shifts of hydrogen halides in a rare gas environment: HF/DF and HC1/DC1 in Ar matrices and clusters
|
Schmidt, Burkhard
|
|
1996
|
259 |
1-2 |
p. 62-68
7 p.
|
artikel
|
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