Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments
ContributorsFradelos, Georgios; Wesolowski, Tomasz Adam
Published inThe journal of physical chemistry. A, vol. 115, no. 35, p. 10018-10026
Publication date2011
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FRADELOS, Georgios, WESOLOWSKI, Tomasz Adam. Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments. In: The journal of physical chemistry. A, 2011, vol. 115, n° 35, p. 10018–10026. doi: 10.1021/jp203192g
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- PID : unige:16945
- DOI : 10.1021/jp203192g
Journal ISSN1089-5639
