Computational and theoretical approaches for mechanistic understanding: general discussion

Matthias Bauer , Jamie Cadge , David Davies , Derek Durand , Odile Eisenstein (1) , Daniel Ess (2) , Natalie Fey (3) , Simone Gallarati , Mike George , Alexander Hamilton , Jeremy Harvey , Ulrich Hintermair , Alison Hulme , Youichi Ishii , Vidar Jensen (4) , Guy Lloyd-Jones , Jennifer Love , Jason Lynam , Stuart Macgregor (5) , Todd Marder (6) , Evert Jan Meijer (7) , Patrick Morgan , Robert Morris , Joseph Mwansa , Aaron Odom , Robin N. Perutz (8) , Markus Reiher (9) , Laurel Schafer (10) , John Slattery , Tom Young

1 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
2 BYU - Brigham Young University
3 University of Bristol [Bristol]
4 UiB - University of Bergen
5 HWU - Heriot-Watt University [Edinburgh]
6 University of Würzburg
7 UvA - Universiteit van Amsterdam
8 Department of Chemistry [York, UK]
9 ETH Zürich - Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich]
10 UBC Chemistry - Department of Chemistry [Vancouver]

Domaines: Chimie; Catalyse; Chimie théorique et/ou physique

Matthias Bauer, Jamie Cadge, David Davies, Derek Durand, Odile Eisenstein, et al.. Computational and theoretical approaches for mechanistic understanding: general discussion. Faraday Discussions, 2019, 220, pp.464-488. ⟨10.1039/C9FD90073J⟩. ⟨hal-02496610⟩