Journal(Name( (

ARTICLE(

This(journal(is(©(The(Royal(Society(of(Chemistry(20xx! J.!Name.,(2013,(00,(1B3(|(8 ((

Please(do(not(adjust(margins(

Please(do(not(adjust(margins(

SUPPORTING(INFORMATION(((

Melamine:exfoliated(graphene(aqueous(dispersion:(unveiling(microsolvation(features(with(density(functional(theory((Antonio(M.(Rodríguez,a(Ana(B.(MuñozBGarcía,a(Orlando(Crescenzi,a(Ester(Vásquez,b(and(Michele(Pavonea(

(a. !Dipartimento!di!Scienze!Chimiche,!Università!di!Napoli!Federico!II,!Comp.!Univ.!Monte!Sant’Angelo!Via!Cintia!21,!80126!Naples,!Italy.!b. !Departamento!de!Química!Orgánica,!Facultad!de!Ciencias!y!Tecnologías!Químicas,!Universidad!de!Castilla.La!Mancha,!13071!Ciudad!Real,!Spain.!

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Figure(S1.(Side(view(of(the(minimumBenergy(CMx(geometries(obtained(at(the(PBEBD3(level(of(theory.((

Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.This journal is © the Owner Societies 2016

Journal(Name( (ARTICLE(

This(journal(is(©(The(Royal(Society(of(Chemistry(20xx! J.!Name.,(2013,(00,(1B3(|(9 (

Please(do(not(adjust(margins(

Please(do(not(adjust(margins(

Figure(S2.(Partial(densities(of(states((PDOS)(at(the(PBE(level(of(theory(for(the(CMx(systems.(For(visualization(purposes,(only(C((p(orbitals)(contributions(are(shown(for(graphene(and(the(melamine(contributions(are(shown(as(the(sum(of(the(CBNBH(orbitals.(

Figure(S3.(Geometries(and(structural(features(for(the(CWx(systems.(In(all(cases,(distances(are(in(angstroms.(