Work

Exploring Chemical Concepts and Reactivity from Conceptual Density Functional Theory in Excited States via the ΔSCF Approach

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c01493

Authors: Bin Wang, Paul Geerlings, Frank De Proft

Institution: Vrije Universiteit Brussel

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

Funders: Fonds Wetenschappelijk Onderzoek, Vrije Universiteit Brussel

OpenAlex ID: W7225452634

FWCI:

Cites: 92

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Related to: 10