Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites.

Details

Language :

English

ISSN :

15499596

Volume :

64

Issue :

9

Database :

Supplemental Index

Journal :

Journal of Chemical Information & Modeling

Publication Type :

Academic Journal

Accession number :

177225091

Full Text :

https://doi.org/10.1021/acs.jcim.4c00221