DFT AIM and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens CH3OH CH3SH H2O and H2S

DFT AIM and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens CH3OH CH3SH H2O and H2S
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doi
Date : 1393-02
Article type
Journal