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posted on 2024-06-04, 11:56 authored by RAVI KUMAR, Aryya Ghosh, Nayana Vaval
proton transfer BOMD simulation of donar water in water dimer

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    Journal of Chemical Physics

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    Keywords

    Born Oppenheimer Molecular Dynamics (BOMD)Proton TransferNon-Radiative Decay ProcessCoupled Cluster Methods (EOM-CCSD)Complex Absorbing Potential (CAP)

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