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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. French SA, et al. Angew Chem Int Ed Engl. 2001 Dec 3;40(23):4437-4440. doi: 10.1002/1521-3773(20011203)40:23<4437::aid-anie4437>3.0.co;2-l. Angew Chem Int Ed Engl. 2001. PMID: 12404438 No abstract available.
Understanding the interface between oxides and metals.
Catlow CR, French SA, Sokol AA, Alfredsson M, Bromley ST. Catlow CR, et al. Faraday Discuss. 2003;124:185-203; discussion 205-13, 453-5. doi: 10.1039/b211661h. Faraday Discuss. 2003. PMID: 14527217
The initial stages of aminosilanol polymerisation.
French SA, Sokol AA, Catlow CR, Kornherr A, Zifferer G. French SA, et al. Chem Commun (Camb). 2004 Jan 7;(1):20-1. doi: 10.1039/b313146g. Epub 2003 Dec 1. Chem Commun (Camb). 2004. PMID: 14737312
227 results