Objective i) Apply quantitative molecular modelling to the design of new and selective reagents for useful synthetic transformations, particularly enantio and diastereo-selective carbon-carbon bond formation. (ii) Develop new approaches to the computational modelling of organic reactions, which have greater accuracy and range of applications relative to existing methods. The ultimate goal in this field is the development of quantitative models for reactions involving all synthetically important elements in the first row of the Periodic Table. (iii) Design and synthesize new and useful organic reagents and molecules, valuable to the chemical industry and in the development of new pharmaceuticals and materials. (iv) Transfer expertise and knowledge within the network in the general areas of stereoselective organic synthesis and molecular modelling. Strengthen the scientific relationships between the participants. (v) Train young scientists within the European Community, particularly at the postdoctoral level, in contemporary organic synthesis and molecular modelling.Quantitative molecular modelling has been applied to the design of new and selective reagents for useful synthetic transformations, particularly enantioselective and diastereoselective carbon carbon bond formation. New approaches to the computational modelling of organic reactions have been developed, which have greater accuracy and range of applications relative to existing methods. Computer assisted design of new chiral boron enolates has been undertaken. A molecular mechanics model of the transition state for the addition of allyl and crotyl boronates to aldehydes has been developed. New enantioselective boron enolates bearing menthone derived chiral ligands have been developed. New stereoselective ketone boron enolates derived from lactate esters have been developed. Enantioselective catalysts for reactions of nitroalkanes have been designed. Synthetic catalysts for amide hydrolysis have been designed. New molecules with interesting conformational properties have been designed. Stereoselective nucleophilic epoxidations of electron poor alkenes have been developed. Approaches to the total synthesis of immunosuppressant Discodermolide, Macrolactin-A and the antitumour compound Taxol have been made. Fields of science natural scienceschemical sciencesorganic chemistryaldehydesnatural scienceschemical sciencesorganic chemistryorganic reactionsnatural scienceschemical sciencesorganic chemistryketonesnatural scienceschemical sciencescatalysisnatural scienceschemical sciencesinorganic chemistrymetalloids Programme(s) FP3-HCM - Specific research and technological development programme (EEC) in the field of human capital and mobility, 1990-1994 Topic(s) Data not available Call for proposal Data not available Funding Scheme CSC - Cost-sharing contracts Coordinator THE UNIVERSITY OF MILANO Address Via venezian 21 20133 Milano Italy See on map EU contribution € 0,00 Participants (7) Sort alphabetically Sort by EU Contribution Expand all Collapse all Fundación Bosch i Gimpera de la Universidad de Barcelona Spain EU contribution € 0,00 Address 21,balmes 08007 Barcelona See on map GENT UNIVERSITY Belgium EU contribution € 0,00 Address Krijgslaan 281 s4 9000 Gent See on map Philipps-Universität Marburg Germany EU contribution € 0,00 Address Hans meerwein straße 35043 Marburg See on map THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN HEREINAFTER TRINITY COLLEGE DUBLIN Ireland EU contribution € 0,00 Address Belfield 4 Dublin See on map UNIVERSITY OF NEWCASTLE UPON TYNE United Kingdom EU contribution € 0,00 Address Kensington terrace 6 bedson building NE1 7RU Newcastle upon tyne See on map University of Cambridge United Kingdom EU contribution € 0,00 Address Lensfield road CB2 1EW Cambridge See on map Université de Paris XI (Université Paris-Sud) France EU contribution € 0,00 Address 5 rue jean baptiste clément 92296 Châtenay-malabry See on map
