| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio calculations of electronic g-factors by means of multiconfiguration response theory
|
Vahtras, Olav
|
|
1997
|
281 |
1-3 |
p. 186-192
7 p.
|
article
|
| 2 |
A new basis set for the representation of angular degrees of freedom
|
Woywod, Clemens
|
|
1997
|
281 |
1-3 |
p. 168-174
7 p.
|
article
|
| 3 |
Are the Bader Laplacian and the Bohm quantum potential equivalent?
|
Levit, Creon
|
|
1997
|
281 |
1-3 |
p. 157-160
4 p.
|
article
|
| 4 |
Comment on “Nuclear spin relaxation and non-ergodic quasi-equilibria”
|
Skrynnikov, N.R.
|
|
1997
|
281 |
1-3 |
p. 239-242
4 p.
|
article
|
| 5 |
Comparison of chlorine dioxide photochemistry in acetonitrile and water using subpicosecond pump–probe spectroscopy
|
Philpott, Matthew J.
|
|
1997
|
281 |
1-3 |
p. 1-9
9 p.
|
article
|
| 6 |
Computer simulation studies of anisotropic systems. The density and temperature dependence of the second rank orientational order parameter for the nematic phase of a Gay–Berne liquid crystal
|
Bates, M.A.
|
|
1997
|
281 |
1-3 |
p. 193-198
6 p.
|
article
|
| 7 |
Determination of the dipole moment of H3N–SO3 in the gas phase
|
Canagaratna, M
|
|
1997
|
281 |
1-3 |
p. 63-68
6 p.
|
article
|
| 8 |
Deuterium isotope effects on ultrafast polarisability anisotropy relaxation in methanol
|
Shirota, Hideaki
|
|
1997
|
281 |
1-3 |
p. 27-34
8 p.
|
article
|
| 9 |
DFT calculations of the binding energy of metallocenes
|
Mayor-López, M.J
|
|
1997
|
281 |
1-3 |
p. 226-232
7 p.
|
article
|
| 10 |
Dipole-induced ordering in nematic liquid crystals fact or fiction?
|
Syvitski, Raymond T
|
|
1997
|
281 |
1-3 |
p. 199-206
8 p.
|
article
|
| 11 |
Electronic excitation and electron capture processes in the collision between Rb atoms and Na ions by crossed molecular beams
|
Romero, T.
|
|
1997
|
281 |
1-3 |
p. 74-80
7 p.
|
article
|
| 12 |
Electronic structures of linear polysilane radical anions for ground and low-lying excited states: a theoretical study
|
Tachikawa, Hiroto
|
|
1997
|
281 |
1-3 |
p. 221-225
5 p.
|
article
|
| 13 |
Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets
|
Laikov, Dmitri N.
|
|
1997
|
281 |
1-3 |
p. 151-156
6 p.
|
article
|
| 14 |
Frontier electronic energy levels of icosahedral fullerenes
|
Tang, Au Chin
|
|
1997
|
281 |
1-3 |
p. 123-129
7 p.
|
article
|
| 15 |
Internal conversion in highly excited benzene and benzene dimer: femtosecond time-resolved photoelectron spectroscopy
|
Radloff, W
|
|
1997
|
281 |
1-3 |
p. 20-26
7 p.
|
article
|
| 16 |
Measurement of thermodynamic quantities in the heating-rate dependent thermal transitions of sequenced polytripeptides
|
Uchiyama, S
|
|
1997
|
281 |
1-3 |
p. 92-96
5 p.
|
article
|
| 17 |
Measurement of the third-order nonlinear susceptibility in a representative soluble polymer with acetylenic linkages
|
Zhao, Wei
|
|
1997
|
281 |
1-3 |
p. 105-110
6 p.
|
article
|
| 18 |
Near-resonant vibrational energy transfer from nitrous oxide to benzene
|
Shin, H.K.
|
|
1997
|
281 |
1-3 |
p. 175-185
11 p.
|
article
|
| 19 |
Nematic-isotropic phase coexistence in a Lebwohl–Lasher model binary liquid crystal mixture
|
Polson, James M
|
|
1997
|
281 |
1-3 |
p. 207-211
5 p.
|
article
|
| 20 |
NMR observation of two states of triple helix in the thermal transition of (Pro-Pro-Gly)10
|
Kai, T
|
|
1997
|
281 |
1-3 |
p. 86-91
6 p.
|
article
|
| 21 |
On the formation of isolated Se8 rings in zeolites
|
Goldbach, Andreas
|
|
1997
|
281 |
1-3 |
p. 69-73
5 p.
|
article
|
| 22 |
On the quasidiabatic character of average natural orbitals
|
Garcı́a, V.M.
|
|
1997
|
281 |
1-3 |
p. 161-167
7 p.
|
article
|
| 23 |
On the variational approach to Poisson–Boltzmann free energies
|
Fogolari, Federico
|
|
1997
|
281 |
1-3 |
p. 135-139
5 p.
|
article
|
| 24 |
Parallel tempering algorithm for conformational studies of biological molecules
|
Hansmann, Ulrich H.E.
|
|
1997
|
281 |
1-3 |
p. 140-150
11 p.
|
article
|
| 25 |
Photoelectron spectra of metallofullerenes, GdC82 and La2C80: Electron transfer from the metal to the cage
|
Hino, Shojun
|
|
1997
|
281 |
1-3 |
p. 115-122
8 p.
|
article
|
| 26 |
Production and mass spectroscopic characterization of multiple metal-rich alkali halide clusters
|
Sugai, Toshiki
|
|
1997
|
281 |
1-3 |
p. 57-62
6 p.
|
article
|
| 27 |
Pulsed field gradient multiple-quantum MAS NMR spectroscopy of half-integer spin quadrupolar nuclei
|
Fyfe, C.A
|
|
1997
|
281 |
1-3 |
p. 44-48
5 p.
|
article
|
| 28 |
The H + H2O → OH + H2 reaction: OH state-resolved differential cross-sections and H2 internal energy disposals
|
Brouard, M.
|
|
1997
|
281 |
1-3 |
p. 97-104
8 p.
|
article
|
| 29 |
The N2–N2 potential energy surface
|
Stallcop, James R
|
|
1997
|
281 |
1-3 |
p. 212-220
9 p.
|
article
|
| 30 |
Theoretical investigation of LaC n + (n=2–8) clusters
|
Wu, Z.J
|
|
1997
|
281 |
1-3 |
p. 233-238
6 p.
|
article
|
| 31 |
Time-resolved spectroscopic study of phosphorescence and delayed fluorescence of dyes in silica-gel glasses
|
Lam, Sio Kuan
|
|
1997
|
281 |
1-3 |
p. 35-43
9 p.
|
article
|
| 32 |
Transition metal surface decorated fullerenes as possible catalytic agents for the creation of single walled nanotubes of uniform diameter
|
Birkett, P.R
|
|
1997
|
281 |
1-3 |
p. 111-114
4 p.
|
article
|
| 33 |
Ultrafast electron diffraction: structures in dissociation dynamics of Fe(CO)5
|
Ihee, H
|
|
1997
|
281 |
1-3 |
p. 10-19
10 p.
|
article
|
| 34 |
Upconversion luminescence in a 5d transition-metal ion system: Cs2ZrCl6 : Os4+
|
Wermuth, Markus
|
|
1997
|
281 |
1-3 |
p. 81-85
5 p.
|
article
|
| 35 |
Vibrational state dependence of the N2 +(v=0–3) + HCl reaction at thermal energies
|
Krishnamurthy, M
|
|
1997
|
281 |
1-3 |
p. 49-56
8 p.
|
article
|
| 36 |
Why CCSD(T) works: a different perspective
|
Stanton, John F.
|
|
1997
|
281 |
1-3 |
p. 130-134
5 p.
|
article
|
Journal description