Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method-Reference-Cited by-同舟云学术

Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method

Published:2022-01-19 Issue:2 Volume:18 Page:935-952
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bofill Josep Maria¹²^ORCID,Quapp Wolfgang³^ORCID,Albareda Guillermo²⁴^ORCID,Moreira Ibério de P. R.²⁵^ORCID,Ribas-Ariño Jordi²⁵^ORCID

Affiliation:

1. Departament de Química Inorgànica i Orgànica, Secció de Química Orgànica, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain

2. Institut de Química Teòrica i Computacional, (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain

3. Mathematisches Institut, Universität Leipzig, PF 100920, D-04009 Leipzig, Germany

4. Max Planck Institute for the Structure and Dynamics of Matter and Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany

5. Departament de Ciència de Materials i Química Física, Secció de Química Física, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain

Funder

European Regional Development Fund

Ministerio de Econom?a y Competitividad

Ag?ncia de Gesti? d?Ajuts Universitaris i de Recerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00943

Reference103 articles.

1. Shaik, S., Stuyver, T., Eds. Effects of Electric Fields on Structure and Reactivity; Theoretical and Computational Chemistry Series; The Royal Society of Chemistry: London, 2021; pp 1–428.