Work

Energy decomposition analysis method with the DFT-in-xTB embedding strategy for intermolecular interactions in large systems

Year: 2025

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0258177

Authors: Xuewei Xiong, Yueyang Zhang, Wei Wu, Peifeng Su

Institution: Xiamen University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: National Natural Science Foundation of China

Awards: G1002228272, G4591076905, G8680782843

OpenAlex ID: W4408799902

FWCI:

Cites: 47

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Related to: 10