Anharmonic Molecular Mechanics: Ab Initio Based Morse Parametrizations for the Popular MM3 Force Field

  1. Shannon, R.J.
  2. Hornung, B.
  3. Tew, D.P.
  4. Glowacki, D.R.
Journal:
Journal of Physical Chemistry A

ISSN: 1520-5215,  1089-5639

Year of publication: 2019

Volume: 123

Issue: 13

Pages: 2991-2999

Type: Article

DOI: 10.1021/ACS.JPCA.8B12006 GOOGLE SCHOLAR
Data source: Scopus