Nature

Gas phase enthalpies of formation, isomerization, and disproportionation of mono- through tetra-substituted tetrahedranes: A G4MP2/G4 theoretical study

Gas phase (298.15 K, 1 atm) enthalpies of formation (Δ~f~H°~(g)~), enthalpies of disproportionation to two corresponding acetylene molecules (Δ~rxn~H°~(g),Td→acet~), and enthalpies of isomerization ...
Nature

Comparative density functional theory study on the relative gas phase enthalpies and free energies of formation for the mono- through hepta-halogenated (X=F, Cl, Br) anthraquinones

Gas phase standard state (298.15 K, 1 atmosphere) relative enthalpies and free energies of formation were calculated for all mono- through hepta-halogenated (X=F, Cl, Br) anthraquinone congeners using ...