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Microsolvation of small cations and anions
dc.creator | Hadad C. | spa |
dc.creator | Florez E. | spa |
dc.creator | Acelas N. | spa |
dc.creator | Merino G. | spa |
dc.creator | Restrepo A. | spa |
dc.date.accessioned | 2018-10-31T13:44:21Z | |
dc.date.available | 2018-10-31T13:44:21Z | |
dc.date.created | 2018 | |
dc.identifier.issn | 207608 | |
dc.identifier.uri | http://hdl.handle.net/11407/4881 | |
dc.description | Recent advances in the theoretical treatment of microsolvation of small ions, a problem with practical implications in chemistry, physics, and biology, are exposed. In particular, we discuss sound stochastic approaches to sample complex energy landscapes and delve into the nature of bonding interactions that dictate both structural and energetical preferences. An in-depth analysis of the effect of formal charges in the surrounding network of solvent to solvent hydrogen bonds is also presented. The problem, as expected, is more complicated than simple definitions may forecast. © 2018 Wiley Periodicals, Inc. | spa |
dc.language.iso | eng | |
dc.publisher | John Wiley and Sons Inc. | spa |
dc.relation.isversionof | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85050505278&doi=10.1002%2fqua.25766&partnerID=40&md5=6aad9320cd2aa4476b44d7f080c2ca8d | spa |
dc.source | Scopus | spa |
dc.subject | Hydrogen bonds | spa |
dc.subject | Microsolvation | spa |
dc.subject | Nature of bonding | spa |
dc.subject | Small cations and anions | spa |
dc.subject | Stochastic optimization | spa |
dc.subject | Weak interactions | spa |
dc.subject | Optimization | spa |
dc.subject | Positive ions | spa |
dc.subject | Bonding interactions | spa |
dc.subject | Complex energy landscapes | spa |
dc.subject | In-depth analysis | spa |
dc.subject | Microsolvation | spa |
dc.subject | Stochastic approach | spa |
dc.subject | Stochastic optimizations | spa |
dc.subject | Theoretical treatments | spa |
dc.subject | Weak interactions | spa |
dc.subject | Hydrogen bonds | spa |
dc.title | Microsolvation of small cations and anions | spa |
dc.type | Article in Press | eng |
dc.rights.accessrights | info:eu-repo/semantics/restrictedAccess | |
dc.publisher.program | Ciencias Básicas | spa |
dc.contributor.affiliation | Hadad, C., Universidad de Antioquia;Florez, E., Universidad de Medellín;Acelas, N., Universidad de Medellín;Merino, G., Centro de Investigación y de Estudios Avanzados Unidad Mérida Mérida;Restrepo, A., Universidad de Antioquia | spa |
dc.identifier.doi | 10.1002/qua.25766 | |
dc.publisher.faculty | Facultad de Ciencias Básicas | spa |
dc.relation.ispartofes | International Journal of Quantum Chemistry | spa |
dc.type.version | info:eu-repo/semantics/publishedVersion | |
dc.type.driver | info:eu-repo/semantics/article |
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