Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital Method-Reference-Cited by-同舟云学术

Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital Method

Published:2025-02-19 Issue:9 Volume:21 Page:4435-4446
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fedorov Dmitri G.¹^ORCID,Inostroza Diego²³,Courbiere Bastien²³⁴⁵,Guegan Fréderic⁴⁵^ORCID,Contreras-García Julia²³^ORCID,Mori Seiji⁶⁷⁸⁷^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

2. Laboratoire de Chimie Théorique (LCT), CNRS

3. Sorbonne Université

4. Institut de Chimie des Milieux et Matériaux de Poitiers-IC2MP, CNRS

5. Université de Poitiers

6. Institute of Quantum Beam Science, Graduate School of Science and Engineering

7. Ibaraki University

8. Research and Education Center for Atomic Sciences

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c01654

Reference107 articles.

1. Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns

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

3. Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals

4. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

5. Energy decomposition analysis

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Analyzing Many‐Body Charge Transfer Effects With the Fragment Molecular Orbital Method;Journal of Computational Chemistry;2025-05-15