Erratum to “Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO4” [J. Mol. Struct. (Theochem) 546 (2001) 89–97]

The torsion–rotation spectrum of perchloric acid, HClO4

“…This can be compared with A 0 = 5609.76(13) MHz [37] for FClO 3 . Since both ab initio [7][8][9][10] and electron diffraction results [11] show that the ClO 3 group is slightly distorted, the close agreement may be fortuitous. The relationship…”

“…Valenzuela [6] analyzed the microwave spectrum of tert-butyl alcohol which has a similar barrier and rotational constants. Several ab initio calculations have been performed to characterize HClO 4 , its other possible isomers, and clusters [7][8][9][10]. Casper et al [11] published an electron diffraction and ab initio study which utilized preliminary rotational constants from this work to aid in the structure determination.…”

The Gas‐Phase Deuterium Fractionation of Formaldehyde

“…Moreover, the energy of this ''false'' potential saddle point is a very large, 88 kcal mol À1 higher than the energy of the reactants. We then studied the hydrogen exchange between the C and O ends via two hydrogen-shift reactions in which the first hydrogen shift produces the HCOH Jalbout (2002). Considering all these lines of evidence, we can safely conclude that the production of H 2 COH þ + H 2 is the only possible pathway from the reaction of H 2 CO + H þ 3 and that the hydrogen (or deuterium) atoms on opposite ends of the skeleton cannot exchange.…”

Theoretical study on the ClO/ClO− system electron-transfer reactivity by the Golden-rule

“…In the experimental aspect, thermodynamic properties of gaseous Cl 2 O 2 and its fragments have been determined [22] [30,31], etc. But there has not been any work which focuses on the studies of the electron transfer reactivity of these systems.…”