Zachary M. Sparrow,
Brian G. Ernst,
Paul T. Joo,
Ka Un Lao,
Robert A. DiStasio,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
NENCI-2021 is a database of approximately 8000 benchmark Non-Equilibirum Non-Covalent Interaction (NENCI) energies performed on molecular dimers;intermolecular complexes of biological and chemical relevance with a particular emphasis on close intermolecular contacts. Based on dimersfrom the S101 database.