| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An explicit and symplectic integrator for quantum-classical molecular dynamics
|
Nettesheim, Peter
|
|
1996
|
256 |
6 |
p. 581-588
8 p.
|
artikel
|
| 2 |
Applicability of size-consistent self-consistent configuration interaction to excited states
|
Heully, J.L.
|
|
1996
|
256 |
6 |
p. 589-594
6 p.
|
artikel
|
| 3 |
Author index to volume 256
|
|
|
1996
|
256 |
6 |
p. 685-694
10 p.
|
artikel
|
| 4 |
Density functional theory study of radical hydrogen abstraction with hydrogen and hydroxyl radicals
|
Jursic, Branko S.
|
|
1996
|
256 |
6 |
p. 603-608
6 p.
|
artikel
|
| 5 |
Distributed approximating functional approach to fitting and predicting potential surfaces. 1. Atom-atom potentials (Chem. Phys. Letters 252 (1996) 62)
|
Frishman, Anatoli M.
|
|
1996
|
256 |
6 |
p. 684-
1 p.
|
artikel
|
| 6 |
Evaluation of transition state properties by density functional theory
|
Durant, Joseph L.
|
|
1996
|
256 |
6 |
p. 595-602
8 p.
|
artikel
|
| 7 |
First observation of the C 1 3 2 → 3 2 Transition of ArKr+
|
Tsuji, Masaharu
|
|
1996
|
256 |
6 |
p. 623-628
6 p.
|
artikel
|
| 8 |
Gas phase formation and reactivity of iron naphthylene cations: a route for polycyclic aromatic hydrocarbon growth
|
Marty, Philippe
|
|
1996
|
256 |
6 |
p. 669-674
6 p.
|
artikel
|
| 9 |
Gas-phase rate constants for the reaction of NO3 radicals with furan and methyl-substituted furans
|
Kind, I.
|
|
1996
|
256 |
6 |
p. 679-683
5 p.
|
artikel
|
| 10 |
Linear scaling for the charge density fitting procedure of the linear combination of Gaussian-type orbitals density functional method
|
Gallant, Roger T.
|
|
1996
|
256 |
6 |
p. 569-574
6 p.
|
artikel
|
| 11 |
Low spin-high spin planar Ni(II) complexes with phosphinic amidato ligands
|
Mink, Hans Josef
|
|
1996
|
256 |
6 |
p. 663-668
6 p.
|
artikel
|
| 12 |
Near node photoelectron holography
|
Greber, T.
|
|
1996
|
256 |
6 |
p. 653-656
4 p.
|
artikel
|
| 13 |
Observation and characterization by 15N CPMAS NMR of a double proton transfer in cyclic dimers of 15N, 15N′-di(4-bromophenyl)-formamidine in the solid state
|
Männle, Ferdinand
|
|
1996
|
256 |
6 |
p. 657-662
6 p.
|
artikel
|
| 14 |
Product state-resolved stereodynamics: quasiclassical study of the reaction O(1 D) + HD → OH(OD) (ν′, j′) + D(H)
|
Alexander, A.J.
|
|
1996
|
256 |
6 |
p. 561-568
8 p.
|
artikel
|
| 15 |
Rotational alignment in the UV-laser induced desorption of CO from Cr2O3(0001)
|
Beauport, I.
|
|
1996
|
256 |
6 |
p. 641-648
8 p.
|
artikel
|
| 16 |
Rotational spectroscopy of jet-cooled molecular ions and ion complexes
|
Ohshima, Yasuhiro
|
|
1996
|
256 |
6 |
p. 635-640
6 p.
|
artikel
|
| 17 |
Scaling of electron-impact electronic excitation cross sections of vibrationally excited diatomic molecules
|
Celiberto, R.
|
|
1996
|
256 |
6 |
p. 575-580
6 p.
|
artikel
|
| 18 |
Spectral manifestation of the vibronic shift and occurrence of the C60 − anion in stable single crystals of (Ph4P)2C60Y, YCl, Br or I, and (Ph4As)2C60Cl
|
Semkin, V.N.
|
|
1996
|
256 |
6 |
p. 616-622
7 p.
|
artikel
|
| 19 |
Structural modification of water in the confined layer of a lamellar liquid crystal
|
Baker, J.M.
|
|
1996
|
256 |
6 |
p. 649-652
4 p.
|
artikel
|
| 20 |
Structure and properties of X2O and XYO (X, Y Cl, Br) molecules: DFT vs. ‘classical’ ab initio calculations
|
Chaquin, Patrick
|
|
1996
|
256 |
6 |
p. 609-615
7 p.
|
artikel
|
| 21 |
The ν 1 band in N2O3
|
Georges, R.
|
|
1996
|
256 |
6 |
p. 675-678
4 p.
|
artikel
|
| 22 |
Ultrafast dynamics of photoexcited trans-1,3,5-hexatriene in solution by femtosecond transient absorption spectroscopy
|
Ohta, Kaoru
|
|
1996
|
256 |
6 |
p. 629-634
6 p.
|
artikel
|
Tijdschrift beschrijving