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


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


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


To Page