| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparison of ab initio optical rotations obtained with static and dynamic methods
|
Polavarapu, Prasad L.
|
|
1998
|
296 |
1-2 |
p. 105-110
6 p.
|
artikel
|
| 2 |
An ab initio study on the reaction NH2+CH4 →NH3+CH3
|
Yu, Yong-Xue
|
|
1998
|
296 |
1-2 |
p. 131-136
6 p.
|
artikel
|
| 3 |
An implementation of the Deutsch–Jozsa algorithm on a three-qubit NMR quantum computer
|
Linden, Noah
|
|
1998
|
296 |
1-2 |
p. 61-67
7 p.
|
artikel
|
| 4 |
A perturbation theory using a local potential from Hartree–Fock orbitals
|
Manby, F.R.
|
|
1998
|
296 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 5 |
Catalytic growth of single-wall carbon nanotubes from metal particles
|
Hafner, Jason H.
|
|
1998
|
296 |
1-2 |
p. 195-202
8 p.
|
artikel
|
| 6 |
Dirac–Fock–Slater calculations for diatomic molecules with a finite element defect correction method (FEM-DKM)
|
Düsterhöft, C.
|
|
1998
|
296 |
1-2 |
p. 77-83
7 p.
|
artikel
|
| 7 |
Direct measurement of 1 CH 2 in flames by cavity ringdown laser absorption spectroscopy
|
McIlroy, Andrew
|
|
1998
|
296 |
1-2 |
p. 151-158
8 p.
|
artikel
|
| 8 |
Efficient calculation of time- and frequency-resolved spectra: a mixed non-perturbative/perturbative approach
|
Hahn, Susanne
|
|
1998
|
296 |
1-2 |
p. 137-145
9 p.
|
artikel
|
| 9 |
Examination of the A-band short-time photodissociation dynamics of the equatorial conformer of iodocyclohexane
|
Zheng, Xuming
|
|
1998
|
296 |
1-2 |
p. 173-182
10 p.
|
artikel
|
| 10 |
Exchange of interlayer terephthalate anions from a Mg–Al layered double hydroxide: formation of intermediate interstratified phases
|
Kaneyoshi, Masami
|
|
1998
|
296 |
1-2 |
p. 183-187
5 p.
|
artikel
|
| 11 |
Fluorination of single-wall carbon nanotubes
|
Mickelson, E.T.
|
|
1998
|
296 |
1-2 |
p. 188-194
7 p.
|
artikel
|
| 12 |
Magnetic properties of 2,5-difluorophenyl-α-nitronyl nitroxide and related position isomers
|
Nakatsuji, Shin'ichi
|
|
1998
|
296 |
1-2 |
p. 159-166
8 p.
|
artikel
|
| 13 |
MD–DIM simulations of the 3 Π g (ion-pair)→ 3 Π u (valence) red-shifted transitions of Cl2 in neon matrices
|
Grigorenko, B.L.
|
|
1998
|
296 |
1-2 |
p. 84-92
9 p.
|
artikel
|
| 14 |
Medium enhanced, electron stimulated desorption of CF3 − from condensed CF3I
|
Le Coat, Yvonick
|
|
1998
|
296 |
1-2 |
p. 208-214
7 p.
|
artikel
|
| 15 |
Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water
|
Borin, Ivana A.
|
|
1998
|
296 |
1-2 |
p. 125-130
6 p.
|
artikel
|
| 16 |
NMR of surfaces: sub-monolayer sensitivity with hyperpolarized 129 Xe
|
Jänsch, H.J.
|
|
1998
|
296 |
1-2 |
p. 146-150
5 p.
|
artikel
|
| 17 |
NO on copper clusters
|
Holmgren, Lotta
|
|
1998
|
296 |
1-2 |
p. 167-172
6 p.
|
artikel
|
| 18 |
Numerical solutions of the Schrödinger equation directly or perturbatively by a genetic algorithm: test cases
|
Chaudhury, Pinaki
|
|
1998
|
296 |
1-2 |
p. 51-60
10 p.
|
artikel
|
| 19 |
Rate constants for the deactivation of N(2 2 D) by simple hydride and deuteride molecules
|
Umemoto, Hironobu
|
|
1998
|
296 |
1-2 |
p. 203-207
5 p.
|
artikel
|
| 20 |
Relativistic multireference Møller–Plesset perturbation theory based on multiconfigurational Dirac–Fock reference functions
|
Vilkas, Marius J.
|
|
1998
|
296 |
1-2 |
p. 68-76
9 p.
|
artikel
|
| 21 |
Spin–orbit corrections to NMR shielding constants from density functional theory. How important are the two-electron terms?
|
Malkina, O.L.
|
|
1998
|
296 |
1-2 |
p. 93-104
12 p.
|
artikel
|
| 22 |
Statistical analysis of the recoil energy distributions in the products of the unimolecular dissociations of NO2 and C2O
|
Bonnet, L.
|
|
1998
|
296 |
1-2 |
p. 19-24
6 p.
|
artikel
|
| 23 |
Structure-to-property relations for two-photon absorption of hydrocarbon oligomers
|
Norman, Patrick
|
|
1998
|
296 |
1-2 |
p. 8-18
11 p.
|
artikel
|
| 24 |
The 2 B 1 shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method
|
Mahalakshmi, S.
|
|
1998
|
296 |
1-2 |
p. 43-50
8 p.
|
artikel
|
| 25 |
The inversion potential for NH3 using a DFT approach
|
Aquino, N.
|
|
1998
|
296 |
1-2 |
p. 111-116
6 p.
|
artikel
|
| 26 |
Transition moment function, transition probabilities, and radiative lifetimes in the A 1 Π –X 1 Σ + system of the CS molecule
|
Ornellas, Fernando R.
|
|
1998
|
296 |
1-2 |
p. 25-33
9 p.
|
artikel
|
| 27 |
Triple excitation effects in coupled-cluster calculations of frequency-dependent hyperpolarizabilities
|
Gauss, Jürgen
|
|
1998
|
296 |
1-2 |
p. 117-124
8 p.
|
artikel
|
| 28 |
Two-excited-state reversible reactions and fluorescence depolarization in uniaxially organized molecular media
|
Fisz, J.J.
|
|
1998
|
296 |
1-2 |
p. 34-42
9 p.
|
artikel
|
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