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Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry (open access)

Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry

This article uses the relativistic-pseudopotential correlation consistent approach (rp-ccCA) to determine the enthalpy of formation of 24 first row (3d) transition metal compounds.
Date: May 22, 2015
Creator: Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
System: The UNT Digital Library
C-H Functionalization Reactivity of a Nickel-Imide (open access)

C-H Functionalization Reactivity of a Nickel-Imide

This article discusses C-H functionalization reactivity of a Nickel-Imide.
Date: May 22, 2012
Creator: Wiese, Stefan; McAfee, Jason L.; Pahls, Dale R.; McMullin, Claire L.; Cundari, Thomas R., 1964- & Warren, Timothy H.
System: The UNT Digital Library
Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane (open access)

Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane

Article on the thermochemistry of the ethyl radical and the C-H bond strength in ethane.
Date: May 22, 1999
Creator: Marshall, Paul
System: The UNT Digital Library