Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning-Reference-Cited by-同舟云学术

Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning

Published:2023-02-14 Issue:5 Volume:19 Page:1466-1475
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Low Kaycee¹,Coote Michelle L.²^ORCID,Izgorodina Ekaterina I.¹^ORCID

Affiliation:

1. Monash Computational Chemistry Group, School of Chemistry, Monash University, Clayton, Victoria 3800, Australia

2. Institute for Nanoscale Science and Technology, College of Science and Engineering, Flinders University, Bedford Park, South Australia 5042, Australia

Funder

Australian Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00984

Reference60 articles.

1. Wavefunction methods for noncovalent interactions

2. Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the “Gold Standard,” CCSD(T) at the Complete Basis Set Limit?

3. Understanding non-covalent interactions in larger molecular complexes from first principles

4. What is Cooperativity?

5. The Theory of Intermolecular Forces

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