Quantitative Solvation Energies from Gas-Phase Calculations: First-Principles Charge Transfer and Perturbation Approaches.

Miranda-Quintana, Ramón Alain; Chen, Lexin; Craig, Vincent S J; Smiatek, Jens

Miranda-Quintana, Ramón Alain; Chen, Lexin; Craig, Vincent S J; Smiatek, Jens.

Afiliación

Miranda-Quintana RA; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, Florida 32603, United States.
Chen L; Department of Chemistry, University of Florida, Gainesville, Florida 32603, United States.
Craig VSJ; Department of Applied Mathematics, Research School of Physics and Engineering, The Australian National University, Canberra, Australian Capital Territory 2601, Australia.
Smiatek J; Institute for Computational Physics, University of Stuttgart, D-70569 Stuttgart, Germany.

J Phys Chem B ; 127(11): 2546-2551, 2023 Mar 23.

Article en En | MEDLINE | ID: mdl-36917810

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Qualitative_research Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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