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

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 22, 2019
Source ID
10.1021/acs.jpca.8b12006

Entities

People

  • B. Hornung
  • David P Tew
  • David R Glowacki
  • Robin Shannon

Organizations

  • Air Force Office of Scientific Research
  • Engineering and Physical Sciences Research Council
  • Royal Society
  • Stanford University
  • University of Bristol