Theoretica Chimica Acta
        A Journal for Structure, Dynamics and Radiation
                     Volume 86 Number 3 1993

J. Lahsen, A. Toro-Labbe, R. Contreras, A. Aizman
Desolvation effects on the dissociation energy of diatomic
molecules: Ab initio study of the dissociation of Li-F in polar
media                                                   211

P. E. M. Siegbahn
A comparative study of the bond strengths of the second row
transition metal hydrides, fluorides, and chlorides     219

J. Frau, J. Donoso, B. Vilanova, F. Munoz, F. Garcia Blanco
Theoretical calculations of a-lactam antibiotics. Part 4. AM1,
MNDO, and MINDO/3 calculations of hydrolysis of bicyclic system
ofpenicillins                                           229

W.-S. Bian, G.-Z. Ju
Dynamics of the H + LH' reaction Cl + HBr -> HCl + Br. TST-CEQ
and VTST calculations                                   241

Z.-L. Cai
MRSDCI studies of low-lying electronic states of the CF_2^+
ion                                                     249

V. Kvasnicka, S. Sklenak, J. Pospichal
Application of high-order neural networks in chemistry  257

W. R. Mueller, K. Szymanski, J. V. Knop, N. Trinajstic
On the number of square-cell configurations             269

C. W. Murray, J. S. Andrews, R. D. Amos
The use of symmetry in direct Moller-Plesset second-order
calculations                                            279

Indexed in Current Contents

TCHAAM 86 (3) 211-284 August 1993
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                     Theoretica Chimica Acta
         A Journal for Structure, Dynamics and Radiation
                     Volume 86 Number 4 1993

T. A. Pakkanen, J. Muilu
Ab initio molecular orbital calculations on large lattice
cluster models: Use of translational symmetry           285

D. Liotard, M. Rerat
Equivariant Morse theory of the N-body problem: Application to
potential surfaces in chemistry                         297

P. W. Fowler, A. Ceulemans
Spin-orbit coupling coefficients for icosahedral molecules 315

M. Hodoscek, D. Kovacek, Z. B. Maksic
Theoretical study of Mills-Nixon effect in naphtocyclobutenes
and -cyclobutadienes                                    343

N. Tyutyulkov, F. Dietz, K. Muellen, M. Baumgarten
Structure and properties of non-classical polymers. IX. Non-
alternant polymers                                      353

Indexed in Current Contents
TCHAAM  86 (4) 285-368  September 1993
Printed on acid-free paper

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                     Theoretica Chimica Acta
         A Journal for Structure, Dynamics and Radiation
                    Volume 86 Number 5 1993

H. Nakano, S. Obara
Convergence property of multireference many-body perturbation
theory analyzed by the use of a norm of effective Hamiltonian
                                                        369

P. R. Surjan, J. Pipek, B. Paizs
Localization maps by orbital partitioning of the electron
density                                                 379

G. J. M. Velders, D. Feil
Comparison of the Hartree-Fock, Moller-Plesset, and Hartree-
Fock-Slater method with respect to electrostatic properties of
small molecules                                         391

P. Burk, I. A. Koppel
Critical test of PM3 calculated gas-phase acidities     417
B. Engels
Study of influences of various excitation classes on ab initio
calculated isotropic hyperfine coupling constants       429

G. Vojta, C. Zylka
Hindered internal rotation in molecular systems: quantum
statistics of equilibrium and rate constants in the Wigner
function formalism439

Indexed in Current Contents
TCHAAM  86 (5) 369-450  October 1993
Printed on acid-free paper
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                    Theoretica Chimica Acta
        A Journal for Structure, Dynamics and Radiation

                     Volume 86 Number 6 1993

R. Colle, A. Curioni, 0. Salvetti
A non-local representation of the effective potential due to a
molecular fragment                                      451

R. Gonzalez-Luque, M. Merchan, P. Borowski, B.O. Roos
On the theoretical determination of the electron affinity of
ozone                                                   467

T. Koga, H. Tatewaki, A. J. Thakkar
Even-tempered Roothaan-Hartree-Fock wave functions for the
third- and fourth-row atoms                             477

L. De Windt, M. Defranceschi, J. Delhalle
Electronic structure of Li^- and F^- calculated directly in
momentum space                                          487

A. Burkhardt, U. Wedig, H.G. v. Schnering
SCF calculations on MIMD type parallel computers        497

G. Sree Latha, M. Durga Prasad
On the development of exponential ansatze for quantum dynamics
infinite dimensional vector spaces                      511

Contents of Volume 86/Subject index

Indexed in Current Contents

TCHAAM  86 (6) 451-524  October 1993
Printed on acid-free paper