Molecular Modelling, Quantum Chemistry
Proposed for Oral Contributions
Molecular Dynamics in Crystallography
P. Gros
Steroid Receptor Binding: A Comparison of An Empirical Model and the Observed Structure
W.L. Duax, J.F. Griffin
Structural and Conformational Studies on Taxoid Antitumor Drugs
M. Milanesio, P. Ugliengo, D. Viterbo, G. Appendino
H-Bonding in DNA Base Pairs
P. Hobza
Minimization of Cohesion Energy for Partially Covalent Crystals Using Semiempiric Interaction Potentials
V.S. Urusov
Posters
Predicting Polymorphic Crystal Structures
O. König, M.C. Wahle, G.E. Engel, F.J.J. Leusen
Adaptation of the PIMM Force Field for the Purpose of Crystal Structure Prediction
T. Goerdten, H.J. Lindner
A Theoretical Prediction of Molecular and Crystal Structures
L.G. Kreidik, G.P. Shpenkov
Combined Use of Computational Chemistry and Neutron Scattering: Structure, Rotational Tunnelling and Molecular Vibration
M.R. Johnson, G.J. Kearley
New Crystal Structures of 2D and 3D Polymerized C60 Fullerites
L.A. Chernozatonskii, E.G. Gal'pern, I.V. Stankevich, Ya.K. Shimkus
A Modelling System of Molecular and Crystal Structure used on Microcomputer
M.T. Zhang, W.Y. Duan, W.D. Zhang, Y.D. Xiao, S.F. Lin
Computer Modelling the Structure of the Disorder Manganese Dioxide
L. Aleshina, V. Pekin
Flexible Molecule RMC Modelling Applied to Ice IH
M.N. Beverley
The Biologically Active Conformation of Imidazolinone Amino Acids at Glycine Receptor
J. Karola-Wojciechowska, K. Kiec-Kononowicz
Structure of neutral six-coordinated organic derivatives of Sb(V).
G.K. Fukin, L.N. Zakharov, G.A. Domrachev
On the conformation of two 1,4-diaryl-2,3-dinitro-1,3-butadienes
C. Dell'Erba, A. Mugnoli, M. Novi, G. Petrillo, C. Tavani
Factors affecting conformations of (R,R)-tartaric acid amides
M. Hoffmann, U. Rychlewska, J. Rychlewski
Interaction of DNA base pairs with divalent metal cations.
J. Sponer, J.V. Burda, P. Hobza
Experimental and Ab initio study of the compression mechanism of tetramethylammonium sodalite
C. Griewatsch, W. Depmeier, B. Winkler
Structure of 5-R-3-Acetylimino-3-H-[1,2]-Dithiole-4-Carbonitrile and Their 3-Thioacetylimino Analogues
J. Marek, M. Cajan, R. Cmelik, P. Pazdera
Estimation of the energies of intermolecular interactions X...Y (BEDT-TTF, TMTSF;Y=C60, C70)in the new molecular complexes of fullerenes.
S.V. Konovalikhin, L.O. Atovmyan