Work

A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c00606

Authors: Long H. Nguyen, Thom H. Dunning, Sotiris S. Xantheas

Institutions: University of Washington, Pacific Northwest National Laboratory

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

OpenAlex ID: W7165884412

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Cites: 48

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