Browsing Gas Processing Center by Subject "Bonding forces"
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Theoretical investigation of the oxygen bond dissociation energies in graphene oxide
( 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 ...