Angela K. Wilson

发表

Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes

Brent R. Wilson, Nathan J. DeYonker, Angela K. Wilson, 2012, J. Comput. Chem..

CO2-Formatics: How Do Proteins Bind Carbon Dioxide?

Thomas R. Cundari, Angela K. Wilson, Michael L. Drummond, 2009, J. Chem. Inf. Model..

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

Ian Haken, Ralph A. Wheeler, Angela K. Wilson, 2011, J. Comput. Chem..

Comment on the paper “Extensive Theoretical Studies of a New Energetic Material: Tetrazino‐Tetrazine‐Tetraoxide (TTTO)” by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang

Angela K. Wilson, Kameron R. Jorgensen, 2012, J. Comput. Chem..

Molecular Dynamics Studies of the Protein-Protein Interactions in Inhibitor of κB Kinase-β

Angela K. Wilson, Michael R. Jones, Cong Liu, 2014, J. Chem. Inf. Model..

SAMPL6 host–guest challenge: binding free energies via a multistep approach

Angela K. Wilson, Michael R. Jones, Yigitcan Eken, 2018, Journal of Computer-Aided Molecular Design.

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

Angela K. Wilson, Marie L. Laury, Matthew J. Carlson, 2012, J. Comput. Chem..

Thom H. Dunning, Jr.: Contributions to chemical theory and computing

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 2014, Theoretical Chemistry Accounts.

Proton affinities of deoxyribonucleosides via the ONIOM‐ccCA methodology

Amanda G. Riojas, Angela K. Wilson, Joshua R. John, 2012, J. Comput. Chem..

Impact of intracellular ionic strength on dimer binding in the NF-kB Inducing kinase.

Angela K. Wilson, Michael R. Jones, Joshua Yue, 2018, Journal of structural biology.

Protein‐based carbon capture: progress and potential

Angela K. Wilson, M. L. Drummond, T. Cundari, 2012 .

Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2001 .

Toward accurate theoretical thermochemistry of first row transition metal complexes.

Nathan J DeYonker, Nathan J. DeYonker, Angela K. Wilson, 2012, The journal of physical chemistry. A.

Oxidative Cleavage of the β-O-4 Linkage of Lignin by Transition Metals: Catalytic Properties and the Performance of Density Functionals.

Angela K. Wilson, Jiaqi Wang, Lily Liu, 2016, The journal of physical chemistry. A.

Bonding and Phosphorescence Trends in 1-D, 2-D, and 3-D Oligomers and Extended Excimers of Group 12 Metals: Validation of Cooperativity in Both Metallophilic and Excimeric Bonding

Angela K. Wilson, J. Determan, P. Sinha, 2015 .

Performance of Density Functional Theory for Second Row (4d) Transition Metal Thermochemistry.

Angela K. Wilson, Marie L. Laury, A. Wilson, 2013, Journal of chemical theory and computation.

Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry.

Angela K. Wilson, Marie L. Laury, W. Jiang, 2012, Journal of chemical theory and computation.

Harmonic Vibrational Frequencies: Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets

Angela K. Wilson, Scott E. Boesch, P. Sinha, 2004 .

Møller-Plesset correlation energies in a localized orbital basis using a Laplace transform technique

Angela K. Wilson, Jan Almlöf, J. Almlöf, 1997 .

Effects of Basis Set Choice upon the Atomization Energy of the Second-Row Compounds SO2, CCl, and ClO2 for B3LYP and B3PW91

Angela K. Wilson, Nick X. Wang, A. Wilson, 2003 .

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

Angela K. Wilson, Tanja van Mourik, Thom H. Dunning, 1996 .

Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 1993 .

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

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2011 .

The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

Angela K. Wilson, Tanja van Mourik, Kirk A. Peterson, 1998 .

Basis-set convergence in correlated calculations on Ne, N2, and H2O

Trygve Helgaker, Angela K. Wilson, Jeppe Olsen, 1998 .

Towards the intrinsic error of the correlation consistent Composite Approach (ccCA)

Thomas R. Cundari, Brent R. Wilson, Nathan J. DeYonker, 2009 .

Benchmark calculations with correlated molecular wave functions. X. Comparison with

Angela K. Wilson, Thom H. Dunning, T. Dunning, 1997 .

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

Angela K. Wilson, Kameron R. Jorgensen, Gbenga A. Oyedepo, 2011, Journal of hazardous materials.

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview.

Branko Ruscic, Juana Vázquez, Jürgen Gauss, 2008, The Journal of chemical physics.

Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, Cl).

Evan S. Gawlik, Angela K. Wilson, Scott Yockel, 2007, The journal of physical chemistry. A.

Do composite methods achieve their target accuracy

Angela K. Wilson, R. Weber, Rebecca Weber, 2015 .

Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States

Angela K. Wilson, W. Jiang, A. Wilson, 2012 .

The correlation consistent composite approach (ccCA): an alternative to the Gaussian-n methods.

Nathan J DeYonker, Nathan J. DeYonker, Angela K. Wilson, 2006, The Journal of chemical physics.

Quantitative computational thermochemistry of transition metal species.

Nathan J. DeYonker, Angela K. Wilson, Gideon Steyl, 2007, The journal of physical chemistry. A.

Computation of potential energy surfaces with the multireference correlation consistent composite approach.

Angela K. Wilson, Benjamin Mintz, T. G. Williams, 2009, The Journal of chemical physics.

Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides.

Angela K. Wilson, L. Radom, Bun Chan, 2009, The journal of physical chemistry. A.

Accurate thermochemistry for transition metal complexes from first-principles calculations.

Nathan J. DeYonker, Angela K. Wilson, T. Cundari, 2009, The Journal of chemical physics.

Benchmark calculations with correlated molecular wave functions XII. Core correlation effects on the homonuclear diatomic molecules B2-F2

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 1997 .

The existence of FKrCF3, FKrSiF3, and FKrGeF3: A theoretical study

Angela K. Wilson, Ankit Garg, Scott Yockel, 2005 .

The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermodynamics

Nathan J. DeYonker, Angela K. Wilson, T. Cundari, 2009 .

Performance of the correlation consistent composite approach for transition states: a comparison to G3B theory.

Nathan J. DeYonker, Angela K. Wilson, T. Cundari, 2007, The Journal of chemical physics.

Ground and excited electronic state analysis of PrF²⁺ and PmF²⁺.

Angela K. Wilson, George Schoendorff, Benjamin K. Chi, 2015, The journal of physical chemistry. A.

Complete basis set limits of local second-order Møller–Plesset perturbation theory

Nathan J. DeYonker, Angela K. Wilson, Kameron R. Jorgensen, 2013 .

The role of the CI expansion length in time-dependent studies.

Angela K. Wilson, I. Ulusoy, Z. Stewart, 2018, The Journal of chemical physics.

Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA).

Nathan J. DeYonker, Angela K. Wilson, T. Cundari, 2006, The journal of physical chemistry. A.