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The paper presents evidence of a rather strong correlation of odd electronsin the singlet state of graphene. Due to the correlation, the chemicalmodification of graphene can be considered following a certain algorithmiccomputational procedure. Originated due to the correlation and distributed overthe carbon atoms of graphene membrane with fraction numbers NDA, effectivelyunpaired electrons lay the algorithm foundation. The highest NDA value pointsto the target atom that enters a chemical reaction at the considered step.Following the pointers, a stepwise design of polyderivatives can be performed.Applied to the hydrogenation, the algorithmic design has exhibited thatgraphene hydrogenation should be attributed to a highly complicated event,whose final hydride products depend on a number of factors such as: 1) themanner of the graphene membrane fixation; 2) the accessibility of the membraneboth sides to hydrogen; 3) the composition (molecular or atomic) of thehydrogen. In general, the hydride formation is multimode in regards compositionand structure. Thus, the formation of 100% hydride with regular chairlikehexagonal packing of CH units which can be attributed to graphane is possibleif only the graphene membrane is fixed over perimeter while its basal plane isaccessible to hydrogen atoms from both sides.

Hydrogenation of graphene in view of odd electrons correlation