Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example
Published inJournal of chemical theory and computation, vol. 21, no. 20, p. 10452-10465
Publication date2025-10-28
First online date2025-10-06
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ROY, Pierre-Olivier et al. Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example. In: Journal of chemical theory and computation, 2025, vol. 21, n° 20, p. 10452–10465. doi: 10.1021/acs.jctc.5c00991
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- PID : unige:191191
- DOI : 10.1021/acs.jctc.5c00991
- PMID : 41051255
- PMCID : PMC12573756
Additional URL for this publicationhttps://pubs.acs.org/doi/10.1021/acs.jctc.5c00991
Journal ISSN1549-9618
