The Structure of Dilute Clusters of Methane and Water by ab Initio Quantum Mechanical Calculations

Ab initio quantum mechanical methods have been used to examine clusters formed of molecules of methane and water. The clusters contained one molecule of one component (methane or water) and several (10, 8, 6, 4, and 1) molecules of the other component. The Møller−Plesset perturbation theory (MP2 met...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2003-04, Vol.107 (13), p.2289-2295
Hauptverfasser:	Ruckenstein, Eli, Shulgin, Ivan L, Tilson, Jeffrey L
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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