XACS

J. Chem. Phys.: A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules

J. Chem. Phys. 157, 034104 (2022); https://doi.org/10.1063/5.0091781

Introduciton to XEDA in XACS

XEDA employs LMO-EDA, GKS-EDA and their extensions to explore the physical origin of intermolecular interactions.

J. Chem. Phys: λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density

https://doi.org/10.1063/5.0091592

Inorg. Chem.: Metal−Ligand Bonds in Rare Earth Metal−Biphenyl Complexes

https://doi.org/10.1021/acs.inorgchem.2c00144

Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective

https://doi.org/10.1088/1361-648X/ac6bd9

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