Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies-Reference-Cited by-同舟云学术

Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies

Published:2019-05-13 Issue:6 Volume:9 Page:5716-5725
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Wodrich Matthew D.¹^ORCID,Sawatlon Boodsarin¹^ORCID,Solel Ephrath²,Kozuch Sebastian²^ORCID,Corminboeuf Clémence¹³^ORCID

Affiliation:

1. Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

2. Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 841051, Israel

3. National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Ecole Polytechnique F?d?rale de Lausanne

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acscatal.9b00717

Reference97 articles.

1. How to Conceptualize Catalytic Cycles? The Energetic Span Model

2. A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles