"Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster ..."

Paige E. Bowling, Saswata Dasgupta, John M. Herbert (2024)

> Home

Details and statistics

DOI: 10.1021/ACS.JCIM.4C00221

access: closed

type: Journal Article

metadata version: 2024-10-06

- view
  - electronic edition via DOI
  - unpaywalled version
  authority control:
- export record
  dblp key:
  - journals/jcisd/BowlingDH24
- ask others
- share record
  persistent URL:
  - https://dblp.org/rec/journals/jcisd/BowlingDH24
Paige E. Bowling, Saswata Dasgupta, John M. Herbert:
Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites. J. Chem. Inf. Model. 64(9): 3912-3922 (2024)

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.