Structural studies of the water pentamer

ABSTRACT: A computational study of the water pentamer gas phase conformational space is reported in this Letter. Forty-four stationary points distributed among 12 structural patterns were located at the MP2/6– 311++G(d,p) level. At least 5 geometrical motifs (25 structures) are predicted within 3 kc...

Full description

Autores:

Hadad Arriagada, Cacier Zilahy
Guerra Tamayo, Doris Lucia
David, Jorge
Restrepo Cossio, Albeiro Alonso

Tipo de recurso:

Article of investigation

Fecha de publicación:

2011

Institución:

Universidad de Antioquia

Repositorio:

Repositorio UdeA

Idioma:

eng

OAI Identifier:

oai:bibliotecadigital.udea.edu.co:10495/13160

Acceso en línea:

http://hdl.handle.net/10495/13160

Palabra clave:

Electron densities
Hydrogen bonding
Water pentamer
Densidades de electrones
Enlaces de hidrógeno
Pentámero de agua

Rights

openAccess

License

Atribución-NoComercial-SinDerivadas 2.5 Colombia