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...
- 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
- Rights
- License
- http://purl.org/coar/access_right/c_16ec
| Summary: | 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. |
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