Browsing GPC Research by Subject "Infrared spectra"

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    • Theoretical investigation of the oxygen bond dissociation energies in graphene oxide 

      Hassan, Walid M.I.; Verma, Amit; Nekovei, Reza; Jeyakumar, R.; Khader, Mahmoud M. ( Institute of Electrical and Electronics Engineers Inc. , 2016 , Conference Paper)
      The theoretical vibrational spectrum, oxygen bond dissociation energies (BDE), atomic charges and hydrogen bonding has been investigated using wB97XD/6-31g(d) method of calculation. The order of BDE for C-O comes in the ...