Angela K. Wilson - Dissemin

Papers authored by Angela K. Wilson

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2012 Cong Liu, Thomas R. 1964 Cundari, Angela K. Wilson

CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis

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Wanyi Jiang, Nathan J. DeYonker, Angela K. Wilson

Multireference Character for 3d Transition-Metal-Containing Molecules

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Wanyi Jiang, Angela K. Wilson

Ab Initio Composite Approaches

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2011 Wanyi Jiang, Nathan J. DeYonker, John J. Determan, Angela K. Wilson

Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes

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Gbenga A. Oyedepo, Angela K. Wilson

Oxidative Addition of the CαCβ Bond in β-O-4 Linkage of Lignin to Transition Metals Using a Relativistic Pseudopotential-Based ccCA-ONIOM Method

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Michael L. Drummond, Angela K. Wilson

, Thomas R. Cundari

The importance of secondary structure in determining CO2-protein binding patterns

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Cong Liu, Thomas R. Cundari, Angela K. Wilson

Reaction Mechanism of the Reverse Water–Gas Shift Reaction Using First-Row Middle Transition Metal Catalysts L′M (M = Fe, Mn, Co): A Computational Study

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Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, Angela K. Wilson

Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets

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T. Gavin Williams, Nathan J. DeYonker, Bryan S. Ho, Angela K. Wilson

The correlation Consistent composite Approach: The spin contamination effect on an MP2-based composite methodology

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Kameron R. Jorgensen, Gbenga A. Oyedepo, Angela K. Wilson

Highly energetic nitrogen species: Reliable energetics via the correlation consistent Composite Approach (ccCA)

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Wanyi Jiang, Angela K. Wilson

Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2

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John J. Determan, Mohammad A. Omary, Angela K. Wilson

Modeling the Photophysics of Zn and Cd Monomers, Metallophilic Dimers, and Covalent Excimers

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Gbenga A. Oyedepo, Charles Peterson, Angela K. Wilson

Accurate predictions of the energetics of silicon compounds using the multireference correlation consistent composite approach

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Marie L. Laury, Nathan J. DeYonker, Wanyi Jiang, Angela K. Wilson

A pseudopotential-based composite method: The relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y–Cd)

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2010 Josh S. Gibson, Jamal Uddin, Thomas R. Cundari, Nelli K. Bodiford, Angela K. Wilson

First-principle study of structure and stability of nickel carbides

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Gbenga A. Oyedepo, Angela K. Wilson

Multireference Correlation Consistent Composite Approach [MR-ccCA]: Toward Accurate Prediction of the Energetics of Excited and Transition State Chemistry †

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Somak R. Das, T. Gavin Williams, Michael L. Drummond, Angela K. Wilson

A QM/QM Multilayer Composite Methodology: The ONIOM Correlation Consistent Composite Approach (ONIOM-ccCA)

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Brian P. Prascher, David E. Woon, Kirk A. Peterson, Thom H. Dunning, Angela K. Wilson

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

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Cong Liu, Lloyd Munjanja, Thomas R. Cundari, Angela K. Wilson

Theoretical Studies on the Catalysis of the Reverse Water−Gas Shift Reaction Using First-Row Transition Metal β-Diketiminato Complexes

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Jamal Uddin, Michael I. Baskes, S. G. Srinivasan, Srinivasan Srivilliputhur, Thomas R. 1964 Cundari, Angela K. Wilson

Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites

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Papers authored by Angela K. Wilson