Statistical modeling of the reactions Fe+ + N2O → FeO+ + N2 and FeO+ + CO → Fe+ + CO2

Spin-inversion and spin-selection in the reactions FeO+ + H2 and Fe+ + N2O

(2015) Shaun G. Ard et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO+

(2014) Ahmet Altun et al.   Journal of Chemical Theory and Computation

Further Insight into the Reaction FeO+ + H2 → Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling

(2014) Shaun G. Ard et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling

(2014) Shaun G. Ard et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics

(2013) Joshua J. Melko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS