Computational study of the interplay between intermolecular interactions and CO 2 orientations in type I hydrates
Carbon dioxide (CO ) molecules show a rich orientation landscape when they are enclathrated in type I hydrates. Previous studies have described experimentally their preferential orientations, and some theoretical works have explained, but only partially, these experimental results. In the present pa...
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Published in | Physical chemistry chemical physics : PCCP Vol. 19; no. 4; pp. 3384 - 3393 |
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Main Authors | , , , , , |
Format | Journal Article |
Language | English |
Published |
England
25.01.2017
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Online Access | Get full text |
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