Crystal Structure Predictions for 4-Amino-2,3,6-trinitrophenol Using a Tailor-Made First-Principles-Based Force Field

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 24, 2022
Source ID
10.1021/acs.cgd.1c01117

Entities

People

  • Hongxing Song
  • Krzysztof Szalewicz
  • Leslie Vogt
  • Mark E Tuckerman
  • Michael P Metz
  • Muhammad Shahbaz

Organizations

  • Army Research Office
  • Division of Chemistry
  • New York University
  • New York University Shanghai
  • University of Delaware
  • University of Texas at Austin
  • University of the Punjab