nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A symbiotic algorithm for finding the lowest energy isomers of large clusters and molecules
|
Michaelian, K. |
|
1998 |
293 |
3-4 |
p. 202-208 7 p. |
artikel |
2 |
A theoretical analysis of the gas-phase protonation of hydroxylamine, methyl-derivatives and aliphatic amino acids
|
Pérez, Patricia |
|
1998 |
293 |
3-4 |
p. 239-244 6 p. |
artikel |
3 |
Cotton–Mouton effect and optical-frequency molecular polarizability anisotropy of ethylene
|
Coonan, Michael H. |
|
1998 |
293 |
3-4 |
p. 197-201 5 p. |
artikel |
4 |
Erratum to: “Coupled cluster calculations of Verdet constants” [Chem. Phys. Lett. 281 (1997) 445] 1 PII of the original article: S0009-2614(98)01286-4 1
|
Coriani, Sonia |
|
1998 |
293 |
3-4 |
p. 324- 1 p. |
artikel |
5 |
Excitation of carbon-13 triple quantum coherence in magic-angle-spinning NMR
|
Edén, Mattias |
|
1998 |
293 |
3-4 |
p. 173-179 7 p. |
artikel |
6 |
Excited-state proton transfer in 1-naphthol·(NH3) n complexes: the threshold size is n=4
|
Knochenmuss, Richard |
|
1998 |
293 |
3-4 |
p. 191-196 6 p. |
artikel |
7 |
Femtochemistry in nanocavities: dissociation, recombination and vibrational cooling of iodine in cyclodextrin
|
Chachisvilis, M |
|
1998 |
293 |
3-4 |
p. 153-159 7 p. |
artikel |
8 |
Flux analysis for calculating reaction probabilities with real wave packets
|
Meijer, Anthony J.H.M. |
|
1998 |
293 |
3-4 |
p. 270-276 7 p. |
artikel |
9 |
Force concept for predicting the geometries of molecules in an external electric field
|
Honda, Yasushi |
|
1998 |
293 |
3-4 |
p. 230-238 9 p. |
artikel |
10 |
Gauge invariance of the coupled cluster oscillator strength
|
Pedersen, Thomas Bondo |
|
1998 |
293 |
3-4 |
p. 251-260 10 p. |
artikel |
11 |
High basicity of alkylated 2-tetrazenes: an ab initio study
|
Kovačević, B. |
|
1998 |
293 |
3-4 |
p. 245-250 6 p. |
artikel |
12 |
IR spectra of H2S isolated in free-standing crystals of Kr and Xe
|
Koga, Kojiro |
|
1998 |
293 |
3-4 |
p. 180-184 5 p. |
artikel |
13 |
Magnetic transitions in the positional isomers (4-HOPNN and 2-HOPNN) of an organic nitronyl nitroxide radical using muon–spin rotation
|
Garcı́a-Muñoz, J.L. |
|
1998 |
293 |
3-4 |
p. 160-166 7 p. |
artikel |
14 |
Matrix-assisted laser-induced gas-phase aggregation of C60 oxides
|
Barrow, Mark P. |
|
1998 |
293 |
3-4 |
p. 302-308 7 p. |
artikel |
15 |
Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water
|
Lee, S.H. |
|
1998 |
293 |
3-4 |
p. 289-294 6 p. |
artikel |
16 |
On the mechanism of vibrational dephasing in liquid benzene by coherent anti-Stokes Raman scattering using incoherent light
|
Kirkwood, Jason C. |
|
1998 |
293 |
3-4 |
p. 167-172 6 p. |
artikel |
17 |
Picosecond fluorescence analysis of charge transfer microcrystals by near-field microspectroscopy
|
Yoshikawa, Hiroyuki |
|
1998 |
293 |
3-4 |
p. 185-190 6 p. |
artikel |
18 |
Quasi-ab initio dynamics: a test trajectory study of the H+H2 reaction using energies and gradients based on scaling of the external correlation
|
Varandas, A.J.C. |
|
1998 |
293 |
3-4 |
p. 261-269 9 p. |
artikel |
19 |
Rate constants in quantum mechanical systems: A rigorous and practical path-integral formulation for computer simulations
|
Chakrabarti, Nilmadhab |
|
1998 |
293 |
3-4 |
p. 209-220 12 p. |
artikel |
20 |
Regioselectivity of methyl radical addition to fluoroethenes: a quantum mechanical study
|
Arnaud, Roger |
|
1998 |
293 |
3-4 |
p. 295-301 7 p. |
artikel |
21 |
Relativistic all-electron Hartree–Fock–Dirac calculation of a quasi one-dimensional chain of selenium atoms
|
Hu, A. |
|
1998 |
293 |
3-4 |
p. 277-283 7 p. |
artikel |
22 |
Relativistic correction to the potential energy surface and vibration-rotation levels of water
|
Császár, Attila G. |
|
1998 |
293 |
3-4 |
p. 317-323 7 p. |
artikel |
23 |
Relaxation of chlorine anions solvated in small water clusters upon electron photodetachment.
|
Roeselová, Martina |
|
1998 |
293 |
3-4 |
p. 309-316 8 p. |
artikel |
24 |
Structure and properties of supercubane from density functional calculations
|
Winkler, Björn |
|
1998 |
293 |
3-4 |
p. 284-288 5 p. |
artikel |
25 |
Towards linear scaling in continuum solvent models.
|
Rega, Nadia |
|
1998 |
293 |
3-4 |
p. 221-229 9 p. |
artikel |