PAH335 – A diverse database of highly accurate CCSD(T) isomerization energies of 335 polycyclic aromatic hydrocarbons
Amir Karton, Bun Chan
Topics & Concepts
IsomerizationChemistryDipoleComputational chemistryDensity functional theoryOrganic chemistryCatalysisAdvanced Chemical Physics StudiesAtmospheric chemistry and aerosolsPhase Equilibria and Thermodynamics