Obiettivo A special method of calculation and interpretation of the IR spectra of surface organometallic fragments will be developed. This will enable the theoretical investigation and accurate modelling of IR spectra of the molecule near the surface. General methods of calculation of the vibrational states previously developed for large molecules and crystals will be taken into account. One very important element will be a new technique for the calculation of intensities of bands in the infrared range for molecule-surface systems. It will also be possible to visualise molecular vibrations (normal modes) when molecules are in contact with the surface. In parallel with the theoretical investigations, the experimental investigation of infrared spectra of molecules near surface solids will be performed. An accurate and simple means of calculating infrared spectra of surface organometallic fragments would be a great advantage in the structure/reactivity relationships of heterogeneous catalysis. Programma(i) IC-INTAS - International Association for the promotion of cooperation with scientists from the independent states of the former Soviet Union (INTAS), 1993- Argomento(i) 36 - Biochemistry and New Pharmaceutical Compounds Invito a presentare proposte Data not available Meccanismo di finanziamento Data not available Coordinatore Centre National de la Recherche Scientifique Contributo UE Nessun dato Indirizzo Bld. du 11 Novembre 1918 43 69616 Villeurbanne Francia Mostra sulla mappa Costo totale Nessun dato Partecipanti (3) Classifica in ordine alfabetico Classifica per Contributo UE Espandi tutto Riduci tutto Moscow Agricultural Timiryazev Agricultural Academy Russia Contributo UE Nessun dato Indirizzo 127550 Moscow Mostra sulla mappa Costo totale Nessun dato Russian Academy of Sciences Russia Contributo UE Nessun dato Indirizzo 117975 Moscow Mostra sulla mappa Costo totale Nessun dato University of Cambridge Regno Unito Contributo UE Nessun dato Indirizzo Lensfield Road CB2 1EW Cambridge Mostra sulla mappa Costo totale Nessun dato
