A. K. Wilson Angela K. Wilson
Associate Professor of Chemistry
Associated Faculty, Department of Computer Science

Ph.D. -- University of Minnesota, 1995
AWU/DOE Postdoctoral Fellow
Pacific Northwest National Laboratory
Contact Information
Dr. Angela K. Wilson
Department of Chemistry
University of North Texas
P.O. Box 305070
Denton, Texas 76203
Office: (940) 565-4296
Fax: (940) 565-4318
Email: akwilson@unt.edu

Awards and Honors U.S. Chair of the 2006 Chinese-American Frontiers of Science (U.S. National Academy of Sciences)
International Union of Pure and Applied Chemistry (IUPAC) Young Observer, 2005
Wiley International Journal of Quantum Chemistry Young Investigator Award, 2004
National Science Foundation CAREER Award, 2003
Science Advisory Board Program Consultant, Environmental Protection Agency, 2003-2004
Visiting Research Scientist at Oak Ridge National Laboratory, 2003-2004
IUPAC Young Observer, 2003
Visiting Research Scholar at the University of Sydney, 2003

Leadership American Physical Society, Division of Computational Physics, Member-at-Large, 2008-2011
American Chemical Society National Councilor, 2004-2011
U.S. National Committee for IUPAC, National Academies (2007-2010)
Pacific Northwest National Laboratory, EMSL User Advisory Board, 2007-2009
IUPAC, Division of Physical and Biophysical Chemistry, Associate Member (
International Division Leadership Committee), 2006-2009
Center for Advanced Scientific Computing and Modeling (CASCaM), Co-director, 2005-Present
American Chemical Society's Committee on Science, Associate Member, 2005-2006, Member 2007-2009
American Chemical Society National Alternate Councilor, 2003-2004
Leadership Texas, 2003
American Chemical Society Leadership Development Award, 2003

Recent Publications "A CCSD(T) and ccCA Study of Mixed Silicon Hydrides and Halides: Structures and Thermochemistry."
B. P. Prascher, R. M. Lucente-Schultz, and A. K. Wilson
Chem. Phys. submitted (2008).

“Importance of the Quality of Metal and Ligand Basis Sets in Transition Metal Species”
T. Gavin Williams, Angela K. Wilson, J. Chem. Phys., in press (2008).

“The Performance of the Correlation Consistent Composite Approach for Sulfur Species”
T. Gavin Williams, Angela K. Wilson, J. Sulfur Chem., in press (2008).

N. J. DeYonker, T. R. Cundari, A. K. Wilson, “A Paradigm Shift in the Determination of Vibrational Scale Factors”, J. Chem. Theory Comput., submitted (2008).

"Theoretical Investigation of the Germanium Arsenides."
B. P. Prascher, A. M. Kavi, B. J. Mintz, S. M. Yockel, and A. K. Wilson
Chem Phys. 353, 209 (2008).

T. G. Williams, N. J. DeYonker, A. K. Wilson, “Hartree-Fock Complete Basis Set Limit Extrapolations for Transition Metal Diatomics”, J. Chem. Phys., 128, 044101 (2008).

N. J. DeYonker, B. J. Mintz, T. R. Cundari, A. K. Wilson, “Application of the correlation consistent Composite Approach (ccCA) to molecules containing elements Ga – Kr”, J. Chem. Theory Comput., 4, 328 (2008).

"Core-valence Correlation Consistent Basis Sets for Second-row Atoms Al-Ar Revisited"
Scott Yockel and Angela K. Wilson
Theor. Chem. Acc., 120, 119 (2007)

"Systematically Convergent Correlation Consistent Basis Sets for Molecular Core-valence Correlation Effects: The Third Row Atoms Gallium through Krypton”
Nathan J. DeYonker, Angela K. Wilson, and Kirk A. Peterson
J. Phys. Chem. A, 111, 11269 (2007)

"Performance of the correlation consistent Composite Approach (ccCA) for transition states: A comparison to G3B theory"
Thomas V. Grimes, Thomas R. Cundari, Nathan J. DeYonker, and Angela K. Wilson
J. Chem. Phys., 127, 154117 (2007)

"Computational s-Block Thermochemistry with the correlation consistent Composite Approach"
Nathan J. DeYonker, Dustin Ho, Angela K. Wilson, and Thomas R. Cundari
J. Phys. Chem. A, 110, 9767 (2007)

"A Theoretical Characterization of New Organo-Krypton and Argon Species"
S. Yockel, E. Gawlik, and A.K. Wilson
J. Phys. Chem. A, 111, 11261 (2007)

"Truncation of the correlation consistent basis sets: Application to extended systems"
Benjamin Mintz, Sage Driskell, Amy Shah, and Angela K. Wilson
Int. J. Quant. Chem., 107, 3077 (2007)

"Quantitative Computational Thermochemistry of Transition Metal Species"
Nathan J. DeYonker, Kirk A. Peterson, Gideon Steyl, Angela K. Wilson, and Thomas R. Cundari
J. Phys. Chem. A, 111, 11269 (2007)

"The Behavior of Density Functionals with Respect to Basis Set. VI. Truncation of the Correlation Consistent Basis Sets"
Brian P. Prascher, Brent R. Wilson, and Angela K. Wilson
J. Chem. Phys., 127, 124110-1 (2007)

"Photophysics and Bonding in Neutral Gold (I) Organometallic Complexes with an Extended Aurophilic Supramolecular Structure"
Oussama Elbjeirami, Scott Yockel, Charles F. Campana, Angela K. Wilson, and Mohammad A. Omary
Organometallics 26, 2550 (2007)

"A Computational Study of Dihalogen-u-dichalcogenides XAAX (X = F, Cl, Br; A = S, Se)"
Brian P. Prascher and Angela K. Wilson
J. Mol. Struct. (THEOCHEM) 814, 1 (2007)

© 2008 BPP and the Wilson Research GroupUpdated Nov 2008
Wilson Research Group
UNT