Microsolvation of small cations and anions

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 interact...

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Autores:
Tipo de recurso:
Fecha de publicación:
2018
Institución:
Universidad de Medellín
Repositorio:
Repositorio UDEM
Idioma:
eng
OAI Identifier:
oai:repository.udem.edu.co:11407/4881
Acceso en línea:
http://hdl.handle.net/11407/4881
Palabra clave:
Hydrogen bonds
Microsolvation
Nature of bonding
Small cations and anions
Stochastic optimization
Weak interactions
Optimization
Positive ions
Bonding interactions
Complex energy landscapes
In-depth analysis
Microsolvation
Stochastic approach
Stochastic optimizations
Theoretical treatments
Weak interactions
Hydrogen bonds
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http://purl.org/coar/access_right/c_16ec
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spelling 2018-10-31T13:44:21Z2018-10-31T13:44:21Z2018207608http://hdl.handle.net/11407/488110.1002/qua.25766Recent 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.engJohn Wiley and Sons Inc.Ciencias BásicasFacultad de Ciencias Básicashttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85050505278&doi=10.1002%2fqua.25766&partnerID=40&md5=6aad9320cd2aa4476b44d7f080c2ca8dInternational Journal of Quantum ChemistryScopusHydrogen bondsMicrosolvationNature of bondingSmall cations and anionsStochastic optimizationWeak interactionsOptimizationPositive ionsBonding interactionsComplex energy landscapesIn-depth analysisMicrosolvationStochastic approachStochastic optimizationsTheoretical treatmentsWeak interactionsHydrogen bondsMicrosolvation of small cations and anionsArticle in Pressinfo:eu-repo/semantics/articlehttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_2df8fbb1Hadad, 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 AntioquiaHadad C.Florez E.Acelas N.Merino G.Restrepo A.http://purl.org/coar/access_right/c_16ec11407/4881oai:repository.udem.edu.co:11407/48812020-05-27 17:43:47.464Repositorio Institucional Universidad de Medellinrepositorio@udem.edu.co
dc.title.spa.fl_str_mv Microsolvation of small cations and anions
title Microsolvation of small cations and anions
spellingShingle Microsolvation of small cations and anions
Hydrogen bonds
Microsolvation
Nature of bonding
Small cations and anions
Stochastic optimization
Weak interactions
Optimization
Positive ions
Bonding interactions
Complex energy landscapes
In-depth analysis
Microsolvation
Stochastic approach
Stochastic optimizations
Theoretical treatments
Weak interactions
Hydrogen bonds
title_short Microsolvation of small cations and anions
title_full Microsolvation of small cations and anions
title_fullStr Microsolvation of small cations and anions
title_full_unstemmed Microsolvation of small cations and anions
title_sort Microsolvation of small cations and anions
dc.contributor.affiliation.spa.fl_str_mv 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
dc.subject.spa.fl_str_mv Hydrogen bonds
Microsolvation
Nature of bonding
Small cations and anions
Stochastic optimization
Weak interactions
Optimization
Positive ions
Bonding interactions
Complex energy landscapes
In-depth analysis
Microsolvation
Stochastic approach
Stochastic optimizations
Theoretical treatments
Weak interactions
Hydrogen bonds
topic Hydrogen bonds
Microsolvation
Nature of bonding
Small cations and anions
Stochastic optimization
Weak interactions
Optimization
Positive ions
Bonding interactions
Complex energy landscapes
In-depth analysis
Microsolvation
Stochastic approach
Stochastic optimizations
Theoretical treatments
Weak interactions
Hydrogen bonds
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.
publishDate 2018
dc.date.accessioned.none.fl_str_mv 2018-10-31T13:44:21Z
dc.date.available.none.fl_str_mv 2018-10-31T13:44:21Z
dc.date.created.none.fl_str_mv 2018
dc.type.eng.fl_str_mv Article in Press
dc.type.coarversion.fl_str_mv http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.coar.fl_str_mv http://purl.org/coar/resource_type/c_2df8fbb1
dc.type.driver.none.fl_str_mv info:eu-repo/semantics/article
dc.identifier.issn.none.fl_str_mv 207608
dc.identifier.uri.none.fl_str_mv http://hdl.handle.net/11407/4881
dc.identifier.doi.none.fl_str_mv 10.1002/qua.25766
identifier_str_mv 207608
10.1002/qua.25766
url http://hdl.handle.net/11407/4881
dc.language.iso.none.fl_str_mv eng
language eng
dc.relation.isversionof.spa.fl_str_mv https://www.scopus.com/inward/record.uri?eid=2-s2.0-85050505278&doi=10.1002%2fqua.25766&partnerID=40&md5=6aad9320cd2aa4476b44d7f080c2ca8d
dc.relation.ispartofes.spa.fl_str_mv International Journal of Quantum Chemistry
dc.rights.coar.fl_str_mv http://purl.org/coar/access_right/c_16ec
rights_invalid_str_mv http://purl.org/coar/access_right/c_16ec
dc.publisher.spa.fl_str_mv John Wiley and Sons Inc.
dc.publisher.program.spa.fl_str_mv Ciencias Básicas
dc.publisher.faculty.spa.fl_str_mv Facultad de Ciencias Básicas
dc.source.spa.fl_str_mv Scopus
institution Universidad de Medellín
repository.name.fl_str_mv Repositorio Institucional Universidad de Medellin
repository.mail.fl_str_mv repositorio@udem.edu.co
_version_ 1814159178385588224

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