Microsolvation of small cations and anions

Cacier Hadad, Elizabeth Florez, Nancy Acelas, Gabriel Merino, Albeiro Restrepo

Resultado de la investigación: Contribución a una revistaArtículoInvestigaciónrevisión exhaustiva

3 Citas (Scopus)

Resumen

© 2018 Wiley Periodicals, Inc. 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.
Idioma originalInglés estadounidense
PublicaciónInternational Journal of Quantum Chemistry
DOI
EstadoPublicada - 1 ene 2018

Huella dactilar

Anions
Cations
anions
cations
biology
forecasting
Hydrogen bonds
Physics
Acoustic waves
Ions
chemistry
hydrogen bonds
physics
acoustics
ions
interactions
energy

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Microsolvation of small cations and anions. / Hadad, Cacier; Florez, Elizabeth; Acelas, Nancy; Merino, Gabriel; Restrepo, Albeiro.

En: International Journal of Quantum Chemistry, 01.01.2018.

Resultado de la investigación: Contribución a una revistaArtículoInvestigaciónrevisión exhaustiva

TY - JOUR

T1 - Microsolvation of small cations and anions

AU - Hadad, Cacier

AU - Florez, Elizabeth

AU - Acelas, Nancy

AU - Merino, Gabriel

AU - Restrepo, Albeiro

PY - 2018/1/1

Y1 - 2018/1/1

N2 - © 2018 Wiley Periodicals, Inc. 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.

AB - © 2018 Wiley Periodicals, Inc. 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.

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