Three-Body Energy Decomposition Analysis Based on the Fragment Molecular Orbital Method-Reference-Cited by-同舟云学术

Three-Body Energy Decomposition Analysis Based on the Fragment Molecular Orbital Method

Published:2020-05-24 Issue:24 Volume:124 Page:4956-4971
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fedorov Dmitri G.¹^ORCID

Affiliation:

1. Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST), Central 2, Umezono 1-1-1, Tsukuba 305-8568, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c03085

Reference91 articles.

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2. Large-Scale Computations in Chemistry: A Bird’s Eye View of a Vibrant Field

3. Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences

4. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

5. Investigation of the interaction between molecules at medium distances

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