-------------------------------------------------------------
                    Theoretica Chimica Acta
        A Journal for Structure, Dynamics and Radiation

                       87 Number 1/2 1993
            Werner Kutzelnigg honorary issue, part 1

R. Ahlrichs
Werner Kutzelnigg - a personal view                       1

G. Chambaud, W. Gabriel, T. Schmelz, R Rosmus, A. Spielfiedel
Theoretical rotational-vibrational spectra of the X^3B_1,
a^1A_1 and bx1B_1 states of NH_3^+                        5

A. Barszczewicz, M. Jaszunski, K. Kamienska-Trela, T. Helgaker,
R Jorgensen, O. Vahtras
Ab initio study of the NMR shielding constants and spin-spin
coupling constants in cyclopropene                       19

A. Schaefer, C. Huber, J. Gauss, R. Ahlrichs
An ab initio investigation of Cu_2Se and Cu_4Se_2        29

M. von Arnim, S. D. Peyerimhoff
Effective potentials for spectator groups in molecular systems.
1. Potential curves and binding energies                 41

P. Lazzeretti
Magnetic properties of a molecule in non-uniform magnetic
field                                                    59

A. Rutkowski, W. H. E. Schwarz, R. Kostowski
Relativistic virial theorem for diatomic molecules. Application
to H_2^+                                                 75

C. van Wuellen
Magnetic properties of the BH molecule. A CASSCF study   89

R. Burcl, R Hobza
Ab initio study on the methanol-water cation radical potential
energy surface                                           97

J. Sanchez-Marin, D. Maynau, J. R Malrieu
Adding the linked contributions of Triples and Quadruples to a
size-consistent Singles and Doubles CI                  107

R. Fink, V. Staemmler
A multi-configuration reference CEPA method based on pair
natural orbitals                                        129

M. Haeser
Moller-Plesset (MP2) perturbation theory for large molecules
                                                        147

Indexed in Current Contents
TCHAAM 87 (l/2) 1-174 November 1993
Printed on acid-free paper
------------------------------------------------------------
                    Theoretica Chimica Acta
        A Journal for Structure, Dynamics and Radiation

                   Volume 87 Number 3  1993

A. Botrel, B. Illien, P. Rajczy, I. Ledoux, J. Zyss
Intramolecular charge transfer in 5-phenyl-3H-1,2-dithiole-3-
thione and 5-phenyl-3H-1,2-dithiole-3-one derivative molecules
for quadratic nonlinear optics                             175

V. M. Azriel, L. Yu.  Rusin, M. B.  Sevryuk
Multiple impacts and energy transfer in a three-body system for
noncollinear collisions                                    195

S. Abbate, D. Ghisletti, A. Giorgilli, L. Lespade, G. Longhi
Characterization of vibrational transition modes by use of
normal forms                                               215

J. M. Hernando-Huelmo, M. J. Rioseras-Garcia
Theoretical determination of molecular structure.  Conformation
of some benzo[10]-annulenes and[10]-annulene               233

Announcement                                               241

Indexed in Current Contents
TCHAAM  87 (3) 175-242  December 1993
Printed on acid-free paper