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Because of carbon-based materials have shown excellent results for the adsorption of hydrogen as an energy source, in this study, adsorption properties of 26 boron disubstituted sumanene isomers were investigated using MP2/6-311++G(d,p)//B3LYP/6-31+G(d) level of theory. The influence of sumanene modifications on its adsorption properties towards the hydrogen molecule was evaluated and zero point energy...