PyFrag 2019—Automating the exploration and analysis of reaction mechanisms-Reference-Cited by-同舟云学术

PyFrag 2019—Automating the exploration and analysis of reaction mechanisms

Published:2019-06-04 Issue:25 Volume:40 Page:2227-2233
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Sun Xiaobo¹^ORCID,Soini Thomas M.²^ORCID,Poater Jordi³^ORCID,Hamlin Trevor A.¹^ORCID,Bickelhaupt F. Matthias¹⁴^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling Vrije Universiteit Amsterdam De Boelelaan 1083, 1081 HV Amsterdam Netherlands

2. Software for Chemistry & Materials B.V. De Boelelaan 1083, 1081 HV Amsterdam Netherlands

3. ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain and Departament de Química Inorgànica i Orgànica & IQTCUB Universitat de Barcelona 08028 Barcelona Catalonia Spain

4. Institute for Molecules and Materials Radboud University Heyendaalseweg 135, 6525 AJ Nijmegen Netherlands

Funder

China Scholarship Council

Generalitat de Catalunya

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25871

Reference86 articles.

1. Orbital Interactions in Chemistry