title: Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes.
authors.affiliation: Dipartimento di Scienza dei Materiali and Istituto Nazionale di Fisica per la Materia, Università di Milano-Bicocca, Via Cozzi 53, 20125, Milano, Italy.
authors.forename: Federino
authors.initials: F
authors.lastname: Zipoli
authors.forename: Marco
authors.initials: M
authors.lastname: Bernasconi
authors.forename: Alessandro
authors.initials: A
authors.lastname: Laio
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D000077410:Aluminum Chloride; D017607:Aluminum Compounds / Q000737:chemistry*; D002384:Catalysis; D002712:Chlorides / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D015394:Molecular Structure; D017646:Organosilicon Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D013237:Stereoisomerism
chemical_list: D000480:Alkynes; D017607:Aluminum Compounds; D002712:Chlorides; D017646:Organosilicon Compounds; D000077410:Aluminum Chloride