• español
    • English
  • Self-archive
  • Browse
    • Communities & Collections
    • By Issue Date
    • Authors
    • Titles
    • Subjects
    • Document types
  • English 
    • español
    • English
  • Help
  • Login
 
View Item 
  •   Repositorio Institucional Universidad EAFIT
  • Investigación
  • Escuela de Ciencias
  • Electromagnetismo Aplicado (Gema)
  • Artículos (Gema)
  • View Item
  •   Repositorio Institucional Universidad EAFIT
  • Investigación
  • Escuela de Ciencias
  • Electromagnetismo Aplicado (Gema)
  • Artículos (Gema)
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Structural characterization of the (MeSH) 4 potential energy surface

Thumbnail
Files
structural_characterization_of_the_(MeSH)4_potential_energy_surface.pdf (823.2Kb)
s00894-013-1765-4.pdf (823.2Kb)
Date
2013-01-10
Author(s)
Guerra Tamayo, Doris Lucía
Restrepo Cossio, Albeiro Alonso
Gómez Maya, Sara Luz
David Caro, Jorge León
Metrics
Metadata
Show full item record
Abstract
Abstract
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrogenbonding networks according to calculations performed at the B3LYP/6–311++G** and MP2/6–311++G** levels -- The geometric motifs observed are somewhat similar to those encountered for the methanol tetramer, but the interactions responsible for cluster stabilization are quite different in origin -- Cluster stabilization is not related to the number of hydrogen bonds -- Two distinct, well-defined types of hydrogen bonds scattered over a wide range of distances are predicted
Documents PDF

loading
 
URI
http://hdl.handle.net/10784/5008
Source / Editor URL
Journal of Molecular Modeling
http://doi.org/10.1007/s00894-013-1765-4
Collections
  • Artículos (Gema) [79]

My Account

LoginRegister

Statistics

View Usage Statistics

universidad eafit medellin repositorio institucional

Vigilada Mineducación
Universidad con Acreditación Institucional hasta 2026
Resolución MEN 2158 de 2018

Líneas de Atención

Medellín: (57) (604) - 448 95 00
Resto del país: 01 8000 515 900
Conmutador: (57) (604) - 2619500
Carrera 49 N 7 Sur - 50
Medellín, Colombia, Suramérica

Derechos Reservados

DSpace software
copyright © 2002-2016 
Duraspace

Theme by 
@mire NV