Chemical Physics Letters, 2000, V 317, N 3-5, 4 February.


Y. Liu et al.
Near-infrared laser absorption spectroscopy of the CS+ cation
181-186

Wolfgang Rettig and Burkhard Zietz
Do twisting and pyramidalization contribute to the reaction
coordinate of charge-transfer formation in DMABN and
derivatives? 
187-196

Karen Remmers et al.
Gas-phase infrared spectroscopy on the lowest triplet state
of the pyrazine-argon complex  
197-202

V. Nagarajan
System-bath coupling dynamics by femtosecond pump-probe
spectroscopy 
203-210

Masaaki Mitsui, Yasuhiro Ohshima, Shun-ichi Ishiuchi, 
Makoto Sakai and Masaaki Fujii
Structural characterization of the acridine-(H2O)n (n=1-3) 
clusters by fluorescence-detected infrared spectroscopy 
211-219

B. Pranszke, P. Kierzkowski and A. Kowalski
Electronic branching ratios in chemiluminescence from the
collisions of Ca*(3PJ, 1D2) atoms with halogenated methanes 
CX4[-]nYn (X,Y=F,Cl,Br)
220-226

Lei Zhu and Thomas J. Cronin
Photodissociation of benzaldehyde in the 280-308 nm region
[Abstract] [Full text] (PDF 101 Kb)  227-231

Yannig Durand et al.
An optical study of single pentacene molecules in
n-tetradecane
232-237

B. Ruhstaller, J.C. Scott, P.J. Brock, U. Scherf and 
S.A. Carter
Bias-tuned reduction of self-absorption in polymer blend
Electroluminescence
238-244

J.C. Sancho-García, A.J. Pérez-Jiménez and F. Moscardó
A comparison between DFT and other ab initio schemes on the
activation energy in the automerization of cyclobutadiene    
245-251

T.N. Makarov, E.G. Bagryanskaya, S.R. Shakirov, N.N. Lukzen and
R.Z. Sagdeev
CIDNP in a double switched magnetic field  
252-259

T. Manaka et al.
Large order-disorder transition in polydihexylsilane films as
studied by second-harmonic generation spectroscopy     
260-263

Musahid Ahmed, Darcy S. Peterka and Arthur G. Suits
H abstraction dynamics by crossed-beam velocity map imaging:
Cl+CH3OH[->]CH2OH+HCl    
264-268

J.T. Lau, A. Achleitner and W. Wurth
X-ray absorption spectroscopy of size-selected, deposited
small chromium clusters  
269-275

Garth J. Simpson and Kathy L. Rowlen
Influence of substrate roughness on orientation measurements
by second-harmonic generation  
276-281

K. Doll and N.M. Harrison
Chlorine adsorption on the Cu(111) surface
282-289

V.M. Bermudez
Chemisorption of NH3 on GaN(0001)-(1×1)
 290-295

Oliver J. Lanning et al.
Definition of a `guiding function' in global optimization: a
hybrid approach combining energy and R-factor in structure
solution from powder diffraction data
296-303

M. Futamata
Coadsorbed state of uracil, water and sulfate species on the
gold electrode surface   
304-309

Yutaka Harima, Yoshihito Kunugi, Kazuo Yamashita and Masaru
Shiotani
Determination of mobilities of charge carriers in
electrochemically anion-doped polythiophene film 
310-314

Guobin Ma and Hua Guo
Barrier crossing in a dissipative environment: a reduced
density matrix treatment of STM-induced atom transfer
dynamics     
315-321

David M. Bishop and Feng Long Gu
Ab initio and semi-empirical studies of the static
polarizability and the second hyperpolarizability of diamond:
finite Td symmetry models from CH4 to C281H172   
322-329

Lixin Zhou
Ab initio and density functional predictions of the
structure, gas-phase acidity and aromaticity of
1,2-dithio-3,4-diselenosquaric acid  
330-337

Irene Shim and Karl A. Gingerich
All-electron ab initio investigations of the three
lowest-lying electronic states of the RuC molecule     
338-345

T.I. Sachse, K.T. Tang and J.P. Toennies
A simple damping function for the three-atom dispersion
energy 
346-350

Jacek Styszy[\mbox{\'{n}}]ski
Relativistic core-valence correlation effects on molecular
properties of the hydrogen halide molecules
351-359

E.A. Moore
Absolute 15N shielding in dinitrogen trioxide: recalculation
of the shielding tensors 
360-364

J. Sophie Kain, Oleg L. Polyansky and Jonathan Tennyson
The ground-state potential energy surface of water: barrier
to linearity and its effect on the vibration-rotation levels 
365-371

S.J. Jenkins and D.A. King
Adsorbate/substrate bonding in
Co{10[$\overline{1}$]0}/K-c(2×2) elucidated through
first-principles theory  
372-380

S.J. Jenkins and D.A. King
Pentaprismane and hypostrophene from first-principles, with
plane waves  
381-387

Jean-Paul Jay-Gerin and Christiane Ferradini
A new estimate of the ·OH radical yield at early times in the
radiolysis of liquid water     
388-391

D. Sundholm
Density functional theory study of the electronic absorption
spectrum of Mg-porphyrin and Mg-etioporphyrin-I  
392-399

Kim Aa. Christensen and Frank Jensen
The basis set convergence of the density functional energy
for H2 
400-403

Carmen J. Calzado and Jean-Paul Malrieu
Comparison between explicitly correlated and density
functional theory calculations in mixed-valence model systems
404-413

Noriyuki Yoshii, Ryousuke Miyauchi, Shinichi Miura and Susumu
Okazaki
A molecular-dynamics study of the equation of state of water
using a fluctuating-charge model     
414-420

Tao Li and Perla B. Balbuena
Theoretical studies of the reduction of ethylene carbonate
421-429

Dongju Zhang, Fangzhen Liang, Dacheng Feng and Chengbu Liu
Ab initio study of the reorganization barrier for bent
triatomic species  
430-436

J.R. Sambrano, A.R. de Souza, J.J. Queralt and J. Andrés
A theoretical study on cytosine tautomers in aqueous media by
using continuum models   
437-443

I.G. Hill, A. Kahn, J. Cornil, D.A. dos Santos and J.L. Brédas
Occupied and unoccupied electronic levels in organic
[pi]-conjugated molecules: comparison between experiment and
theory 
444-450

F.J. Arranz, F. Borondo and R.M. Benito
Transition from order to chaos in a floppy molecule:
LiNC/LiCN    
451-457

W. Schmickler
A theory for nonadiabatic electrochemical electron-transfer
reactions involving the breaking of a bond 
458-463

Beiyan Jin, Hartmut L. Schmider and David Wardlaw
Potential energy surfaces for the collinear H3+ system
464-471

Celestino Angeli, Renzo Cimiraglia and Jean-Paul Malrieu
On a mixed Møller-Plesset Epstein-Nesbet partition of the
Hamiltonian to be used in multireference perturbation
configuration interaction
472-480

P.A. Frantsuzov, O.A. Igoshin and E.B. Krissinel
Differential approach to the memory-function reaction
kinetics     
481-489

Kazuhiko Akiyama et al.
New fullerenes of a group IV element: Hf metallofullerenes
490-496

B. Kitiyanan, W.E. Alvarez, J.H. Harwell and D.E. Resasco
Controlled production of single-wall carbon nanotubes by
catalytic decomposition of CO on bimetallic Co-Mo catalysts  
497-503

Yingjiu Zhang et al.
Synthesis of GeO2 nanorods by carbon nanotubes template
504-509

S.R. Mishra et al.
Optical limiting in single-walled carbon nanotube suspensions
510-514

Masaaki Kawata and Masuhiro Mikami
Corrigendum to "Acceleration of the canonical molecular
dynamics simulation by the particle mesh Ewald method
combined with the multiple time-step integrator algorithm"   
515

Shih-Huang Lee and Kopin Liu
Erratum to: "Isotope effects and excitation functions for the
reactions of S(1D)+H2, D2 and HD [Chem. Phys. Lett. 290
516 (1998) 323]"