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posted on 2024-06-04, 11:56 authored by RAVI KUMAR, Aryya Ghosh, Nayana Vaval

BOMD simulation of acceptor water in water dimer

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Chemical sciences

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Born Oppenheimer Molecular Dynamics (BOMD)Proton Transfer Non-Radiative Decay Process Coupled Cluster Methods (EOM-CCSD)Complex Absorbing Potential (CAP)

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