Georgia Institute / College of Computing / Georgia Institute of Technology / /
IndustryTerm
metal / bond dissociation energy / High-level quantum chemical methods / prototype hydrogen donation tool / little theoretical work proposing candidate tools / excess hydrogen gas / initio bare energy differences / e-s / metal/metalloid changes / gas-phase hydrocarbons / chemical processes / hydrogen abstraction tool / chemical vapor deposition / possible hydrogen donation tool / open-shell systems / hydrocarbon radical site / heavy / precursor hydrocarbon gas / molecular systems / larger systems / zero-point vibrational energy correction / hydride bond dissociation energy / energy / /
Organization
School of Chemistry and Biochemistry / Institute for Molecular Manufacturing / Georgia Institute of Technology / Atlanta / College of Computing / Center for Computational Molecular Science and Technology / /
Person
C. David Sherrill / Robert A. Freitas / Jr. / Ralph C. Merkle / /
J. Phys. Chem. A 2007, 111, [removed]Ab Initio Thermochemistry of the Hydrogenation of Hydrocarbon Radicals Using Silicon-, Germanium-, Tin-, and Lead-Substituted Methane and Isobutane