autodE: Automated Calculation of Reaction Energy Profiles - Application to Organic and Organometallic Reactions (2020)

First Author: Duarte F
Attributed to:  EPCC Tier 2 HPC Service funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv.12786473

Publication URI: http://dx.doi.org/10.26434/chemrxiv.12786473

Type: Preprint