caa a22 4500 475844041 CHVBK 20180406123908.0 cr unu---uuuuu 170329e20000801xx s 000 0 eng 10.1023/A:1009002921067 doi (NATIONALLICENCE)springer-10.1023/A:1009002921067 Sautet Philippe Institut de Recherches sur la Catalyse CNRS, 2 Avenue A. Einstein, 69626, Villeurbanne Cedex, France aut Theoretical chemistry as a tool for interpreting catalysts selectivities [Elektronische Daten] [Philippe Sautet] Reaching high selectivities is an important concern for heterogeneous catalysis. Insights in the factors which control the reaction selectivity can be obtained from theoretical approaches, also a full computational description of the reaction is not yet possible, due to the great complexity of the molecules generally involved in fine chemical catalysis. Some theoritical works related to the interpretation of chemical selectivity are rewieved in this paper, with a focus on the various types of selectivity: chemoselectivity, regioselectivity and enantioselectivity. Kluwer Academic Publishers, 2000 heterogeneous catalysis nationallicence selectivity nationallicence quantum chemistry nationallicence modeling nationallicence butadiene nationallicence α-β unsaturated aldehydes nationallicence enantioselectivity nationallicence Topics in Catalysis Kluwer Academic Publishers-Plenum Publishers 13/3(2000-08-01), 213-219 1022-5528 13:3<213 2000 13 11244 https://doi.org/10.1023/A:1009002921067 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1009002921067 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Sautet Philippe Institut de Recherches sur la Catalyse CNRS, 2 Avenue A. Einstein, 69626, Villeurbanne Cedex, France aut NATIONALLICENCE 773 0- Topics in Catalysis Kluwer Academic Publishers-Plenum Publishers 13/3(2000-08-01), 213-219 1022-5528 13:3<213 2000 13 11244 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer