N. J. DeYonker, T. R. Cundari, A. K. Wilson, “A Paradigm Shift in the Determination of Vibrational Scale Factors”, J. Chem. Theory Comput., submitted.
"Mixed Germanium Arsenide Systems: Structures, Isomerization Barriers, and Thermochemistry."
B. P. Prascher, A. M. Kavi, B. J. Mintz, S. M. Yockel, and A. K. Wilson
Chem Phys. submitted.
“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).
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)
"The correlation consistent Composite Approach (ccCA): Application to the G3/99 Test Set"
Nathan J. DeYonker, Tom Grimes, Scott Yockel, Adriana Dinescu, Benjamin J. Mintz, Thomas R. Cundari, and Angela K. Wilson
J. Chem. Phys. 125, 104011 (2006)
"Computation of Gas-Phase Enthalpies of Formation with Chemical Accuracy: The Curious Case of 3-Nitroaniline"
Thomas R. Cundari, Nathan J. DeYonker, Angela K. Wilson, C.A. Sood, and David H. Magers
J. Mol. Struct. (THEOCHEM) 775, 77 (2006)
D.S. Ho, N.J. DeYonker, A.K. Wilson, and T.R. Cundari, "Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: An Assessment of the correlation consistent Composite Approach (ccCA)", J. Phys. Chem. A, 110, 9767 (2006).
N. DeYonker, T. R. Cundari, and A. K. Wilson, "The correlation consistent Composite Approach (ccCA): An Alternative to the Gaussian-n Methods." J. Chem. Phys.,124, 114104 (2006).
| © 2005 BPP and the Wilson Research Group | Updated July 2007 |
