Angew Chem Int Ed Engl. 2001 Dec 3;40(23):4437-4440.
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.
French SA, Sokol AA, Bromley ST, Catlow CR, Rogers SC, King F, Sherwood P.
Davy Faraday Research Laboratory The Royal Institution of Great Britain 21 Albemarle Street, London, W1S 4BS (UK).
PMID: 12404438 [PubMed - as supplied by publisher]