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Graciela Bravo-Pérez and Humberto Saint-Martin A theoretical study of the confinement of methane in water clusters International Journal of Quantum Chemistry 112

Version of Record online: 13 AUG 2012 | DOI: 10.1002/qua.24315

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Understanding the formation of methane hydrates is required to design new and better inhibitors. The study of different clathrates may be helpful to gain insight into the nucleation processes that lead to crystallization. In this work, a comparison is made of the confinement of methane within water clathrates of different sizes, looking into whether a water molecule will engage in an external hydrogen-bond network or in increasing the size of the confining cage.

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