Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory

Tian Lu; Qinxue Chen

doi:10.1021/acs.jpca.3c04374

journal article Aug 15, 2023

Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory

Tian Lu

Qinxue Chen

The Journal of Physical Chemistry A Vol. 127 No. 33 pp. 7023-7035 · American Chemical Society (ACS)

View at Publisher Save 10.1021/acs.jpca.3c04374

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Details

Published: Aug 15, 2023
Vol/Issue: 127(33)
Pages: 7023-7035
License: View

Authors

T

Tian Lu

Beijing Kein Research Center for Natural Sciences, Beijing 100024, P.R. China

Q

Qinxue Chen

Beijing Kein Research Center for Natural Sciences, Beijing 100024, P.R. China

Cite This Article

Tian Lu, Qinxue Chen (2023). Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory. The Journal of Physical Chemistry A, 127(33), 7023-7035. https://doi.org/10.1021/acs.jpca.3c04374

Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory

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