Chemical Physics Letters, 1998, V 294, N 1-3, 11 September.

J.R. Sambrano, A.R. de Sousa, J.J. Queralt, J. Andrés, E. Longo, A
theoretical analysis on the intramolecular proton transfer of
α-alanine in an aqueous medium, 
pp. 1-8

Murat Canpolat, Francis W. Starr, Antonio Scala, M. Reza Sadr-Lahijany,
Osamu Mishima, Shlomo Havlin, H. Eugene Stanley, Local structural
heterogeneities in liquid water under pressure, 
pp. 9-12

J.E. Avron, J. Berger, The Longuet-Higgins phase and charge transport in
molecular rings, 
pp. 13-18

E.G. Petrov, I.S. Tolokh, V. May, Blocking of bridge-mediated electron
transfer by an external magnetic field, 
pp. 19-25

Gert D. Billing, Aron Kuppermann, On the geometric phase effect on
tetra-atomic reactions: the OH+H2->H2O+H reaction, 
pp. 26-30

Shih-I Chu, Xiao-Min Tong, Time-dependent approach to high-resolution
spectroscopy: application to the photoabsorption spectrum of classically
chaotic hydrogen atoms in magnetic fields, 
pp. 31-36

Olaf Hübner, Volker Termath, Andreas Berning, Joachim Sauer, A CASSCF/ACPF
study of spectroscopic properties of FeS and FeS- and the photoelectron
spectrum of FeS-,  pp. 37-44

Donald G. Truhlar, Basis-set extrapolation,
pp. 45-48

Beatriz Miguel, Nathalie Guihéry, Jean Paul Malrieu, Peter Wind, Study of
infinite polyacetylene from a Heisenberg Hamiltonian: dimerization and
lowest excitation energies, 
pp.49-55

D. Chakraborty, S. Manogaran, Vibrational analysis of glycine zwitterion --
an ab initio study, 
pp. 56-64

M. Gerhards, S. Schumm, C. Unterberg, K. Kleinermanns, Structure and
vibrations of catechol in the S1 state and ionic ground state, 
pp. 65-70

F.Y. Naumkin, F.R.W. McCourt, Ab initio-based potential energy surfaces and
predicted microwave spectra of the Ar--I2(X1Σg+) Van der Waals
complex,
 pp. 71-78

Noam Agmon, Evgenii B. Krissinel', Incoherent control of protein
conformational state, 
pp. 79-86

M. Oliva, V.S. Safont, J. Andrés, O. Tapia, Molecular mechanism for
oxygenation pathway in Rubisco.,
pp. 87-94

H. Takahashi, T. Wakabayashi, T. Nitta, A wavepacket analysis of the
statistical behaviour of molecules that penetrate a slit-shaped micropore,
pp. 95-102

B. Civalleri, E. Garrone, P. Ugliengo, Vibrational modes of isolated
hydroxyls of silica computed ab initio in a cluster approach, 
pp. 103-108

G.E. Froudakis, G.S. Fanourgakis, S.C. Farantos, S.S. Xantheas, Binding
energies and structures of C+Arn (n=1--5), clusters from first principles,
pp. 109-116

Harold Basch, Shmaryahu Hoz, Resonance in formamide: resolution of
contending models, 
pp. 117-125

Alok Shukla, Michael Dolg, Hermann Stoll, A Wannier-function-based ab
initio Hartree--Fock study of polyethylene
pp. 126-134

D.A. Mooney, F. Müller-Plathe, K. Kremer, Simulation studies for liquid
phenol: properties evaluated and tested over a range of temperatures,
  pp. 135-142
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Florian Weigend, Marco Häser, Holger Patzelt, Reinhart Ahlrichs, RI-MP2:
optimized auxiliary basis sets and demonstration of efficiency, Chemical
Physics Letters (294)1-3  pp. 143-152
 (PDF 297147 bytes)

Haya Kornweitz, R.D. Levine, Formation of molecular iodine in high-energy
four-center CH3I+CH3I collisions,  
pp. 153-161
 (PDF 218253 bytes)

H. Houjou, K. Koyama, M. Wada, K. Sameshima, Y. Inoue, M. Sakurai, Effects
of the protein electrostatic environment on the absorption maximum of
bacteriorhodopsin,   
pp. 162-166

Toshihiko Nagamura, Syuzoh Kashihara, Hideki Kawai, First intramolecular
charge resonance band observed at room temperature in solution by steady
photolysis of 1,3-bis(4-(4-nitrostyryl)pyridinium)propane
tetraphenylborate,   
pp. 167-172

Christine R. Bucher, Kevin K. Lehmann, Vibrationally mediated
photodissociation of HCN,  
pp. 173-180

Nandita Biswas, Siva Umapathy, Partitioning of the total reorganization
energy into its vibrational and solvent (inertial and reorientational)
contributions using resonance Raman intensities,
pp. 181-190

Y. Schneider-Kühnle, T. Dreier, J. Wolfrum, Vibrational relaxation and
energy transfer in the hydrogen system at temperatures between 110 and 300 K,  
 pp. 191-196

Ahmed Haouz, Charles Twist, Christian Zentz, Anne-Marie de Kersabiec, Serge
Pin, Bernard Alpert, Förster energy transfer from tryptophan to flavin in
glucose oxidase enzyme,   
pp. 197-203

S. Nakabayashi, I. Krastev, R. Aogaki, K. Inokuma, Electrochemical
instability of Ag/Sb co-deposition coupled with a magnetohydrodynamic flow,
 pp. 204-208

J.M. Chen, R.S. Liu, M.J. Kramer, K.W. Dennis, R.W. McCallum, Soft X-ray
absorption study of (Nd1.05-xPrx)Ba1.95Cu3O7 using synchrotron radiation,
 pp. 209-216

Michelle Chung-Ming Tam, Stuart A. Rice, Andrew H. Marcus, Unusual
structure in a quasi-two-dimensional binary colloid fluid,
pp. 217-222

Karl A. Newson, Stephen D. Price, Intramolecular isotope effects in the
bond-forming reaction of CF22+ with HD, 
 pp. 223-228

P.J. Thomas, N. Berovic, P. Laitenberger, R.E. Palmer, N. Bampos, J.K.M.
Sanders, Room temperature manipulation of self-organised supramolecular
nanostructures with a scanning tunnelling microscope,
pp. 229-232

A. Daniel Boese, Gustavo E. Scuseria, C2 fragmentation energy of C60
revisited: theory disagrees with most experiments,
pp. 233-236

U. Kuhlmann, H. Jantoljak, N. Pfänder, P. Bernier, C. Journet, C. Thomsen,
Infrared active phonons in single-walled carbon nanotubes,
pp. 237-240

Klaus Kuhnke, Maximilian Epple, Klaus Kern, Second-harmonic spectroscopy of
fullerenes,   
pp. 241-247

Jun-ichi Fujisawa, Yasunori Ohba, Seigo Yamauchi, Pulsed and
cw-time-resolved EPR studies of photoinduced electron transfer between
zinc(II) porphyrin and fullerene,  
pp. 248-254

Dawn L. Scovell, Tim D. Pinkerton, Bruce A. Finlayson, Eric M. Stuve, The
dielectric response of water in high electric fields: equilibrium water
thickness and the field distribution, 
 pp. 255-261

David J. Wales, Erratum to ``Symmetry, near-symmetry and energetics'',
pp. 262-262