Work

Constrained dipole moment density functional theory for the calculation of the charge-transfer energy in non-covalent complexes

Year: 2025

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0251768

Authors: Eduardo Zúñiga-Rivera, Javier Carmona-Espíndola, José L. Gázquez

Institutions: Universidad Autónoma Metropolitana, Secretaría de Ciencia, Humanidades, Tecnología e Innovación

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: Consejo Nacional de Ciencia y Tecnología

Awards: G1295712472, G5313829198

OpenAlex ID: W4408770028

FWCI: 1.111

Cites: 99

Cited by: 3

Related to: 10