Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics
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DOI: 10.1002/jcc.27110
Abstract: We report new results on the translational‐rotational (T‐R) states of the CO2 molecule inside the sI clathrate‐hydrate cages. We adopted the multiconfiguration time‐dependent Hartree methodology to solve the nuclear molecular Hamiltonian, and to address issues… read more here.
Keywords: clathrate; interaction; co2 water; inside clathrate ... See more keywords