Chemical Physics Letters, 1998, V 296, N 1-2, 30 October.



F.R. Manby, P.J. Knowles, A perturbation theory using a local potential
from Hartree--Fock orbitals,  
pp. 1-7

Patrick Norman, Yi Luo, Hans Ågren, Structure-to-property relations for
two-photon absorption of hydrocarbon oligomers, 
pp. 8-18

L. Bonnet, J.C. Rayez, Statistical analysis of the recoil energy
distributions in the products of the unimolecular dissociations of NO2 and
C2O,  
pp. 19-24

Fernando R. Ornellas, Transition moment function, transition probabilities,
and radiative lifetimes in the A 1Π--X 1Σ+ system of the CS
molecule,  
pp. 25-33

J.J. Fisz, M. Buczkowski, Two-excited-state reversible reactions and
fluorescence depolarization in uniaxially organized molecular media,
 pp. 34-42

S. Mahalakshmi, Manoj K. Mishra, The 2B1 shape resonance in
electron-formaldehyde scattering: an investigation using the dilated
electron propagator method, 
pp. 43-50

Pinaki Chaudhury, S.P. Bhattacharyya, Numerical solutions of the
Schrödinger equation directly or perturbatively by a genetic algorithm:
test cases,  
pp. 51-60

Noah Linden, Hervé Barjat, Ray Freeman, An implementation of the
Deutsch--Jozsa algorithm on a three-qubit NMR quantum computer, 
pp. 61-67

Marius J. Vilkas, Konrad Koc, Yasuyuki Ishikawa, Relativistic
multireference Møller--Plesset perturbation theory based on
multiconfigurational Dirac--Fock reference functions, 
pp. 68-76

C. Düsterhöft, D. Heinemann, D. Kolb, Dirac--Fock--Slater calculations for
diatomic molecules with a finite element defect correction method
(FEM-DKM),  
pp. 77-83

B.L. Grigorenko, A.V. Nemukhin, N.V. Ozhegova, MD--DIM simulations of the
3Πg(ion-pair)->3Πu(valence) red-shifted transitions of Cl2 in neon
matrices,  
pp. 84-92

O.L. Malkina, B. Schimmelpfennig, M. Kaupp, B.A. Hess, P. Chandra, U.
Wahlgren, V.G. Malkin, Spin--orbit corrections to NMR shielding constants
from density functional theory. How important are the two-electron terms?,
 pp. 93-104

Prasad L. Polavarapu, Chunxia Zhao, A comparison of ab initio optical
rotations obtained with static and dynamic methods, 
pp. 105-110

N. Aquino, G. Campoy, H. Yee-Madeira, The inversion potential for NH3 using
a DFT approach,  
pp. 111-116

Jürgen Gauss, Ove Christiansen, John F. Stanton, Triple excitation effects
in coupled-cluster calculations of frequency-dependent
hyperpolarizabilities,  
pp. 117-124

Ivana A. Borin, Munir S. Skaf, Molecular association between water and
dimethyl sulfoxide in solution: the librational dynamics of water, 
pp. 125-130

Yong-Xue Yu, Shen-Min Li, Zhen-Feng Xu, Ze-Sheng Li, Chia-Chung Sun, An ab
initio study on the reaction NH2+CH4 -> NH3+CH3, 
pp. 131-136

Susanne Hahn, Gerhard Stock, Efficient calculation of time- and
frequency-resolved spectra: a mixed non-perturbative/perturbative approach,
 pp. 137-145

H.J. Jänsch, T. Hof, U. Ruth, J. Schmidt, D. Stahl, D. Fick, NMR of
surfaces: sub-monolayer sensitivity with hyperpolarized 129Xe, 
pp. 146-150

Andrew McIlroy, Direct measurement of 1CH2 in flames by cavity ringdown
laser absorption spectroscopy,  
pp. 151-158

Shin'ichi Nakatsuji, Hirotoshi Morimoto, Hiroyuki Anzai, Junko Kawashima,
Kazuyuki Maeda, Masaki Mito, Kazuyoshi Takeda, Magnetic properties of
2,5-difluorophenyl-α-nitronyl nitroxide and related position isomers,
 pp. 159-166

Lotta Holmgren, Mats Andersson, Arne Rosén, NO on copper clusters, 
pp. 167-172

Xuming Zheng, David Lee Phillips, Examination of the A-band short-time
photodissociation dynamics of the equatorial conformer of iodocyclohexane,
 pp. 173-182

Masami Kaneyoshi, William Jones, Exchange of interlayer terephthalate
anions from a Mg--Al layered double hydroxide: formation of intermediate
interstratified phases, 
pp. 183-187

E.T. Mickelson, C.B. Huffman, A.G. Rinzler, R.E. Smalley, R.H. Hauge, J.L.
Margrave, Fluorination of single-wall carbon nanotubes, 
pp. 188-194

Jason H. Hafner, Michael J. Bronikowski, Bobak R. Azamian, Pavel Nikolaev,
Andrew G. Rinzler, Daniel T. Colbert, Ken A. Smith, Richard E. Smalley,
Catalytic growth of single-wall carbon nanotubes from metal particles,
 pp. 195-202

Hironobu Umemoto, Nobuhide Hachiya, Eiji Matsunaga, Atsushi Suda, Masahiro
Kawasaki, Rate constants for the deactivation of N(22D) by simple hydride
and deuteride molecules,  
pp. 203-207

Yvonick Le Coat, Roger Azria, Michel Tronc, Oddur Ingólfsson, Eugen
Illenberger, Medium enhanced, electron stimulated desorption of CF3- from
condensed CF3I,  
pp. 208-214