Computational Catalysis for Organic Synthesis
The special issue on Computational Catalysis, guest-edited by Dean Tantillo, includes Accounts from leading practitioners of computational and theoretical chemistry from around the world. These Accounts focus on computational explorations of mechanisms and selectivity for organic reactions catalyzed by organometallic and organic catalysts, with an emphasis on meaningful predictions of reactivity to guide future experiments.
Cover Art: Stylized images of computed transition state structures for catalyzed reactions behind a “network diagram” where the relative positions of the nodes correspond to home institutions of authors contributing to the special issue. Figures in background reproduced from the following sources:
ACS Catal. 2015, 5 (1), 272–280. © 2015 American Chemical Society.
J. Am. Chem. Soc. 2012, 134 (51), 20569–20572. © 2012 American Chemical Society.
J. Org. Chem. 2015, 80 (5), 2756–2766. © 2015 American Chemical Society.
J. Am. Chem. Soc. 2014, 136 (1), 76–79. © 2014 American Chemical Society.
J. Am. Chem. Soc. 2016, 138 (2), 503–506. © 2016 American Chemical Society.
Faster, Catalyst! React! React! Exploiting Computational Chemistry for Catalyst Development and Design
Dean J. Tantillo (Guest Editor)
Acc. Chem. Res., 2016, 49 (6), pp 1079–1079