Accession Number : ADA225805


Title :   Modelling of Molecular Structures and Properties. Proceedings of the International Meeting of Physical Chemistry on Modeling of Molecular Structures and Properties in Physical Chemistry and Biophysics Organized by the Division de Chimie Physique of the Societe Francaise de Chimie Held in Nancy, France on 11-15 September 1989


Corporate Author : SOCIETE FRANCAISE DE CHIMIE PARIS (FRANCE) DIV DE CHIMIE PHYSIQUE


Personal Author(s) : Rivail, J L ; Lallemand, J Y ; Lavery, R ; Mornon, J P ; Pepe, G ; Robinet, B ; Soulie, E ; Troyanowsky, C ; Vergoten, G


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a225805.pdf


Report Date : Jan 1990


Pagination or Media Count : 780


Abstract : The improved techniques of molecular graphics have triggered very fast advances in molecular modelling, be it concerned with structures or behaviour. Jean-Louis Rivail's proposal to devote our international meeting to molecular modelling was therefore approved practically without discussion. The way our conference went it had been a good choice. Crystal structures compelled very lengthy work, whereas nowadays one must select, because of its interest, a structure which will be determined very quickly. Conversely the field of chemical computation is still shared between some research on molecular reactivity that involve laborious number crunching , while the field of molecular modelling offers many subtle examples of software which can visualize simply enough the structures and behaviours of complex molecules.


Descriptors :   *MOLECULAR STRUCTURE , CRYSTAL STRUCTURE , COMPUTATIONS , CHEMICALS , PHYSICAL CHEMISTRY , REACTIVITIES , GRAPHICS , BIOPHYSICS , COMPUTER PROGRAMS , MOLECULES


Subject Categories : Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE