Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction
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DOI: 10.1016/j.chemphys.2021.111351
Abstract: Abstract A large sample has been employed to obtain total reaction cross sections and product state distributions (translational, vibrational and rotational) for the title reaction. Quasi-Classical Trajectory (QCT) calculations and the Gaussian Binning (GB) methodology… read more here.
Keywords: qct calculations; vho vhod; gaussian binning; reaction ... See more keywords