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Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04959-y
Abstract: The electronic sensitivity and adsorption behavior for mercaptan natural gas of a Ca12O12 nanocluster were studied via ab initio computations. To be more specific, to fully grasp the influence of mercaptan molecules on the chemical…
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Keywords:
quantum chemical;
ca12o12 nanocluster;
chemical studies;
gas ... See more keywords