title: Structural characterization of the (MeSH)4 potential energy surface.
abstract: A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrogen-bonding 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.
authors: Grupo de Química-Física Teórica, Instituto de Química, Universidad de Antioquia, Medellín, Colombia.
authors: Sara
authors: S
authors: Gómez
authors: Doris
authors: D
authors: Guerra
authors: Jorge
authors: J
authors: David
authors: Albeiro
authors: A
authors: Restrepo
mesh_terms: D006860:Hydrogen Bonding; D007536:Isomerism; D000432:Methanol / Q000737:chemistry*; D008958:Models, Molecular; D058105:Polymerization; D011789:Quantum Theory; D013438:Sulfhydryl Compounds / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
chemical_list: D013438:Sulfhydryl Compounds; D014867:Water; C005231:methylmercaptan; D000432:Methanol
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