Polarization energies in the fragment molecular orbital method-Reference-Cited by-同舟云学术

Polarization energies in the fragment molecular orbital method

Published:2022-04-21 Issue:16 Volume:43 Page:1094-1103
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

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) Tsukuba Japan

Funder

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26869

Reference84 articles.

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

2. Energy density analysis with Kohn–Sham orbitals

3. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

4. Energy decomposition analysis of covalent bonds and intermolecular interactions

5. XEDA , a fast and multipurpose energy decomposition analysis program

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