title: From CO(2) to Methanol by Hybrid QM/MM Embedding This work was supported by EU Esprit IV project 25047. S.A.F. is grateful to ICI and Synetix for funding. K. Waugh, L. Whitmore, S. Cristol, and P. Sushko are thanked for their helpful insights. QM/MM=quantum mechanics/molecular mechanics.
authors.affiliation: Davy Faraday Research Laboratory The Royal Institution of Great Britain 21 Albemarle Street, London, W1S 4BS (UK).
authors.forename: Samuel A.
authors.initials: SA
authors.lastname: French
authors.forename: Alexey A.
authors.initials: AA
authors.lastname: Sokol
authors.forename: Stefan T.
authors.initials: ST
authors.lastname: Bromley
authors.forename: C. Richard A.
authors.initials: CR
authors.lastname: Catlow
authors.forename: Stephen C.
authors.initials: SC
authors.lastname: Rogers
authors.forename: Frank
authors.initials: F
authors.lastname: King
authors.forename: Paul
authors.initials: P
authors.lastname: Sherwood