"An automatized workflow from molecular dynamic simulation to quantum ..."

Gunnar Schmitz et al. (2021)

> Home

Details and statistics

DOI: 10.1002/JCC.26757

access: open

type: Journal Article

metadata version: 2024-10-06

- view
  - electronic edition via DOI (open access)
  authority control:
- export record
  dblp key:
  - journals/jcc/SchmitzYSSH21
- ask others
- share record
  persistent URL:
  - https://dblp.org/rec/journals/jcc/SchmitzYSSH21
Gunnar Schmitz, Özlem Yönder, Bastian Schnieder, Rochus Schmid, Christof Hättig:
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants. J. Comput. Chem. 42(32): 2264-2282 (2021)

manage site settings

To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.