A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies
نویسندگان
چکیده
A non-perturbative scheme for complete decomposition of energy and charge associated with transfer interaction into pairwise additive components.
منابع مشابه
Photochromism of a diarylethene charge-transfer complex: photochemical control of intermolecular charge-transfer interaction.
A diarylethene derivative bearing a phenylenediamine group formed radical ions with an electron acceptor molecule in solution, and the concentration of the radical ions was modulated by the photochromic reaction of the diarylethene, reflecting the difference in the electron-donating character between the open- and closed-ring isomers.
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d0cp05852a