“In Support of Our Global Chemical Sciences Community”, Angela K. Wilson Chemical & Engineering News, 101(34), (2023)

“Coulomb Interaction Driven Entanglement of Electrons on Helium”, Niyaz R. Beysengulov, Johannes Pollanen, Øyvind S. Schoyen, Stian D. Bilek, Jonas B. Flaten, Oskar Leinonen, Håkon Emil Kritiansen, Zachary J. Stewart, Jared D. Weidman, Angela K. Wilson, and Morten Hjorth-Jensen Chemical & Engineering News, 10.1002/jcc.27023

“Tailoring Light-Induced Charge Transfer and Intersystem Crossing in FeCO Using Time-Dependent Spin-Orbit Configuration Interaction”, Benjamin G. Peyton, Zachary J. Stewart, Jared D. Weidman, and Angela K. Wilson Journal of Chemical Physics(accepted, Nov 2023)

“Binding of Per- and Polyfluoroalkyl Substances (PFAS) to PPARγ/RXRα Nuclear Receptors and Their Effect on DNA Interaction”, Nuno M. S. Almeida, Semiha Kevser Bali, Deepak James, Cong Wang, and Angela K. Wilson Journal of Chemical Information and Modeling (accepted, Nov 2023)

“Thermochemistry of Perfluoroalkyl Substances (PFAS)”, Timothé R.L. Melin, Preston Harrrell, Betoul Ali, Narasimhan Loganathan and Angela K. Wilson Journal of Computational Chemistry, 44(4), 570-580 (2023), DOI: 10.1002/jcc.27023

“Multireference Calculations on the Ground and Excited States of LrF and LrO”, Sasha C. North, Nuno M.S. Almeida, Timothé R.L. Melin and Angela K. Wilson Journal of Physical Chemistry A, 127(1), 107-121 (2023), DOI: 10.1021/acs.jpca.2c06968

“Population Analysis: Effects of Gaussian Basis Set Quality and Quantum Mechanical Method”, Sasha C. North, Kameron R. Jorgensen, Jason Price-Tolstoy and Angela K. Wilson Frontiers of Computational Chemistry, 120, 1152500 (2023), DOI: 10.3389/fchem.2023.1152500

“Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX”, Christina E. Schumm, Narasimhan Loganathan and Angela K. Wilson Environmental Science & Technology Water, 3, 2659-2670(2023), DOI: 10.1021/acsestwater.3c00171

“High-Level Ab Initio Composites: Thermochemical Bond Dissociation Energies for Vanadium First- and Second-Row Diatomics”, Bradley Welch, Ryan McLean and Angela K. Wilson Molecular Physics, (2023), (In press) DOI: 10.1080/00268976.2023.2248292

“Electronic-nuclear Quantum Dynamics of Diatomic Molecules: Nonadiabatic Signatures in Molecular Spectra” ”, Lucas Aebersold, Inga S. Ulusoy and Angela K. Wilson Molecular Physics, 120, e1988743 (2022), DOI: 10.1080/00268976.2021.1988743

“The Chemical Sciences are Key to the World’s Biggest Challenges”, Angela K. Wilson Chemical & Engineering News, 99(44), (2022)

“Across the Spectrum of the Chemical Sciences”, Angela K. Wilson Chemical & Engineering News, 100(10), (2022)

“Ab Initio Approaches for Heavy Element Energetics: Ionization Potentials for the Actinide Series of Elements”, Sasha C. North and Angela K. Wilson Journal of Physical Chemistry A, 126, 3027-3042 (2022), DOI: 10.1021/acs.jpca.2c01007

“Adsorption, Structure, and Dynamics of Short- and Long-Chain PFAS Molecules in Kaolinite: Molecular Level Insights”, Narasimhan Loganathan and Angela K. Wilson Environmental Science & Technology, 56, 8043 (2022), DOI: 10.1021/acs.est.2c01054

“Transformational Age of Chemistry”, Angela K. Wilson Chemical & Engineering News, 100(25), (2022)

“Increasing Innovation in the Chemical Sciences””, Angela K. Wilson Chemical & Engineering News, 100(31), (2022)

“Machine Learning, Artificial Intelligence, and Chemistry: How Smart Algorithms are Reshaping Simulation and the Laboratory””, David Kuntz and Angela K. Wilson Pure and Applied Chemistry, 94(8), (2022), DOI: 10.1515/pac-2022-0202

“Molecular Screening and Toxicity Estimation of 260,000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFAS) through Machine Learning”, Thanh Lai, David Kuntz and Angela K. Wilson Journal of Chemical Information and Modeling, 62(19), 4569-4578 (2022), DOI: 10.1021/acs.jcim.2c00374

“Ab Initio Composite Strategies and Multireference Approaches for Lanthanide Sulfides and Selenides”,Nuno M.S. Almeida, Timothé R.L. Melin, Sasha C. North, Bradley K. Welch and Angela K. Wilson Journal of Chemical Physics, 157, 024105 (2022), DOI: 10.1063/5.0094367

“It Takes a Village to Build a Career”, Angela K. Wilson Chemical & Engineering News, 100 (31), (2022)

“SAMPL7: Host-Guest Binding Prediction by Molecular Dynamics and Quantum Mechanics”, Yigitcan Eken, Nuno M.S. Almeida, Cong Wang, and Angela K. Wilson Journal of Computer Aided Molecular Design, 35, 63-77 (2021), DOI: 10.1007/s10822-020-00357-3

“Scientific Collaboration for a Better, More Sustainable Tomorrow”, H.N. Cheng, Angela Wilson, and Luis Echegoyen National Science Review, 8(5), nwab035 (2021), DOI: 10.1093/nsr/nwab035

“Binding of Per- and Polyfluoro-alkyl Substances (PFASs) to Peroxisome Proliferator-activated Receptor Gamma (PPARg)”, and Angela K. Wilson ACS Omega, 6(23), 15103-15114 (2021), DOI: 10.1021/acsomega.1c01304

“Multireference Calculations on the Ground and Lowest Excited States and Dissociation Energy of LuF”, and Angela K. Wilson Journal of Chemical Physics, 154(24), 244304 (2021), DOI: 10.1063/5.0052312

“Considering Density Functional Approaches for Actinide Species: The An66 Molecule Set”, and Angela K. Wilson Journal of Physical Chemistry A, 125, 7029-7035 (2021), DOI: 10.1021/acs.jpca.1c06155

“Super-ccCA (s-ccCA): An Approach for Accurate Transition Metal Chemistry”, and Angela K. Wilson Molecular Physics, 119(21-22), e1963001 (2021), DOI: 10.1080/00268976.2021.1963001

“Ab Initio Composite Methodologies: Their Significance for the Chemistry Community”, and Angela K. Wilson Annual Reports in Computational Chemistry, 117, 113 (2021), DOI: 10.1016/bs.arcc.2021.09.002

“Multi-configuration Electron-nuclear Dynamics: An Open-shell Approach”, and Angela K. Wilson Journal of Chemical Physics, 155, 154103 (2021), DOI: 10.1063/5.0063478

“Acid/Base effects on mitigating the molecular interactions of Per- and Polyfluoro-Alkyl Substances with Peroxisome Proliferator-Activated Receptor Gamma (PPARG)”, Nuno M. S. Almeida, Yigitcan Eken and Angela K. Wilson Biophysical Journal, 120, 175A-175A (2021), DOI: 10.1016/j.bpj.2020.11.1230

“Binding of Per- and Polyfluoroalkyl substances to the Human Pregnane X Receptor”, Thanh T. Lai, Yigitcan Eken, and Angela K. WilsonEnvironmental Science and Technology, 54, 15986-15995 (2020), DOI: 10.1021/acs.est.0c04651

“Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation ”,Prajay Patel and Angela K. WilsonCatalysis Today, 358, 422-429 (2020), DOI: 10.1016/j.cattod.2020.07.057

“Predicting bond dissociation energies and bond lengths of coordinatively unsaturated vanadium-ligand bonds”, Junwei Lucas Bao, Bradley K. Welch, Inga S. Ulusoy, Xin Zhang, Xuefei Xu, Angela K. Wilson, and Donald G. Truhlar Journal of Physical Chmeistry A , 124, 9757-9770 (2020), DOI: 10.1021/acs.jpca.0c06519

“SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics”, Yigitcan Eken, Nuno M. S. Almeida, Cong Wang and Angela K. Wilson Journal of Computer-Aided Molecular Design , 35, 63-77 (2021), DOI: 10.1007/s10822-020-00357-3

“Chemical synthesis of human syndecan-4 glycopeptide bearing O-, N-sulfation and multiple aspartic acids for probing impacts of the glycan chain and the core peptide on biological functions ”, Weizhun Yang, Yigitcan Eken, Jicheng Zhang, Logan Emerson Cole, Sherif Ramadan, Yongmei Xu, Zeren Zhang, Jian Liu, Angela K. Wilson and Xuefei Huang Chemical Science , 11, 6393-6404 (2020), DOI: 10.1039/d0sc01140a

“Prediction of pKa of Late Transition Metal Hydrides via a QM/QM Approach”, Prajay Patel, Jiaqi Wang and Angela K. Wilson Journal of Computational Chemistry, 41, 171–183 (2020), DOI: 10.1002/jcc.26057

“Domain-Based Local Pair Natural Orbital Methods withinthe Correlation Consistent Composite Approach”, Prajay Patel and Angela K. Wilson Journal of Computational Chemistry, 41, 800–813 (2020), DOI: 10.1002/jcc.26129

“Is a High Photoluminescence Quantum Yield Good Enough for OLEDs? Can Luminescence Rigidochromism Be Manifest in the Solid State? an Optoelectronic Device Screening Case Study for Diphosphine/Pyrazolate Copper(I) Complexes”, Mohammad A. Omary, Johan J. Determan, Chammi S. Pelehepitiya, Pankaj Sinha, Shan Li, Monika R. Patterson, Vladimir N. Nestero, Angela K. Wilson and H. V. Rasika Dias Comments on Inorganic Chemistry , 40, 1-24 (2020), DOI: 10.1080/02603594.2019.1701448

“A novel series of cysteine-dependent, allosteric inverse agonists of the nuclear receptor RORγt”, Xin Jiang, Irina Dulubova, Scott A. Reisman, Martha Hotema, Chun-Yue I. Lee, Liping Liu, Lyndsey McCauley, Isaac Trevino, Deborah A. Fergurson, Yigitcan Eken, Angela K. Wilson, W. Christian Wigley and Melean Visnick Bioorganic & Medicinal Chemistry Letters, 30, 126967 (2020), DOI: 10.1016/j.bmcl.2020.126967

“SAMPL6 logP challenge: machine learning and quantum mechanical approaches”, Prajay Patel, David M. Kuntz, Micheal R. Jones, Bernard R. Brooks and Angela K. Wilson Journal of Computer-Aided Molecular Design , 41, (2020), DOI: 10.1007/s10822-020-00287-0

“Slater and Gaussian basis functions and computation of molecular integrals”, Inga S. Ulusoy and Angela K. Wilson Mathematical Advances in Theoretical Chemistry, 31, (2019), DOI: 10.1016/B978-0-12-813651-5.00002-4

“Coupled electron and nuclear motion in strong laser fields”, Lucas E. Aebersold, Inga S. Ulusoy and Angela K. Wilson Physical Review A , 100, 023406 (2019), DOI: 10.1103/PhysRevA.100.023406

“Spin trapping and flipping in FeCO through relativistic electron dynamics”, Inga S. Ulusoy and Angela K. Wilson Physical Chemistry Chemical Physics , 21, 7265-7271 (2019), DOI: 10.1039/C8CP06583G

“Theoretical Studies of Two Key Low-Lying Carbenes of C₅H₂ Missing in Laboratory”, Venkatesan S. Thimmakondu, Inga Ulusoy, Angela K. Wilson and Amir Karton The Journal of Physical Chemistry A, 123, 6618-6627 (2019), DOI: 10.1021/acs.jpca.9b06036

“Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)”, Andrew Mahler, John J. Determan and Angela K. Wilson Journal of Chemical Physics , 151, 064110 (2019), DOI: 10.1063/1.5113873

“SAMPL6 host-guest challenge: binding free energies via a multistep approach”, Yigitcan Eken, Prajay Patel, Thomas Diaz, Michael R. Jones and Angela K. Wilson Journal of Computer-Aided Molecular Design , 32, 1097-1115 (2018), DOI: 10.1007/s10822-018-0159-1

“Chemoenzymatic synthesis of glycopeptides bearing rare N-glycan seqences with or without bisecting GlcNac”, Weizhun Yang, Sherif Ramadan, Jared Orwenyo, Tayeb Kakeshpour, Thomas Diaz, Yigitcan Eken, Milosav Sanda, James E. Jackson, Angela K. Wilson and Xuefei Huang The Royal Society of Chemistry, 8, 8194 (2018), DOI: 10.1039/C8SC02457J

“The role of the CI expansion length in time-dependent studies”, Inga S. Ulusoy, Zachary Stewart and Angela K. Wilson Journal of Chemical Physics , 148, 014107 (2018), DOI: 10.1063/1.5004412

“Impact of intracellular ionic strength on dimer binding in the NF-kappa B Inducing kinase”, Michael R. Jones, Joshua Yue and Angela K. Wilson Journal of Structural Biology , 202, 183-190 (2018), DOI: 10.1016/j.jsb.2018.01.004

“Charge Stabilization in High-Potential Zinc Porphyrin-Fullerene via Axial Ligation of Tetrathiafulvalene”, Christopher O. Obondi, Gary N. Lim, Youngwoo Jang, Prajay Patel, Angela K. Wilson, Prashanth K. Poddutoori and Francis D'Souza Journal of Physical Chemistry C , 122, 13636-13647 (2018), DOI: 10.1021/acs.jpcc.8b00028

“Importance of the Ligand Basis Set in Ab Initio Thermochemical Calculations of Transition Metal Species”, Cesar Plascencia, Jiaqi Wang, and Angela K. Wilson, Chemical Physics Letters , 2, 496-503 (2017) DOI: 10.1016/j.cplett.2017.08.003

“Towards a More Rational Design of the Direct Synthesis of Aniline: A DFT Study”, Zainab Al Sunaidi, Thomas Cundari, and Angela K. Wilson, ACS Omega 2, 3214 (2017), DOI: 10.1021/acsomega.7b00356

“Efficacy of Density Functionals and Relativistic Effective Core Potentials for Lanthanide-Containing Species: The Ln 54 Molecule Set”, Lucas E. Aebersold, Stephen H. Yuwono, George Schoendorff, and Angela K. Wilson, J. Chem. Theor. Comp. 13, 2831 (2017), DOI: 10.1021/acs.jctc.6b01223

“Relativistic Ab Initio Accurate Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-atomic Orbitals for the Elements Li-Xe”, George C. Schoendorff, Aaron C. West, Michael W. Schmidt, Klaus Ruedenberg, Angela K. Wilson, and Mark S. Gordon, J. Phys. Chem. 121, 3588-3597 (2017), DOI: 10.1021/acs.jpca.7b01916 

“Adsorption and Molecular Siting of CO2, Water, and Other Gases in the Superhydrophobic, Flexible Pores of FMOF-1 from Experiment and Simulation”, Peyman Z. Moghadam, Joshua F. Ivy, Ravi K. Arvapally, Antonio M. dos Santos, John C. Pearson, Li Zhang, Emmanouil Tyllianakis, Pritha Ghosh, Iain W.H. Oswalk, Usharee Kaipa, Xiaoping Wang, Angela K. Wilson, Randall Q. Snurr, and Mohammad A. Omary, Chemical Science 8, 3989 (2017), DOI: 10.1039/c7sc00278e

“A Multi-state Modified Embedded Atom Method Potential for Titanium”, J.S. Gibson, S.G. Srinivasan, M.I. Baskes, R.E. Miller, and A.K. Wilson, Modelling and Simulation in Materials Science and Engineering 25, 015010 (2017), DOI: 10.1088/1361-651X/25/1/015010

“Comparative Study of Nonhybrid Density Functiona Approximations for the Prediction of 3d Transition Metal Thermochemistry”, John J. Determan, Katelyn Poole, Giovanni Scalmani, Micheal J. Frisch, Benjamin G. Janesko and Angela K. Wilson, Journal od Chemical Theory and Computation 13, 4907-4913 (2017), DOI: 10.1021/acs.jctc.7b00809

“Partition Coefficients for the SAMPL5 Challenge Using Transfer Free Energies”, Michael R. Jones, Bernard R. Brooks, and Angela K. Wilson, J. Comput. Aided Mol. Des., 30,1129-1138 (2016). (invited), DOI: 10.1007/s10822-016-9964-6

“DFT and Ab Initio Composite Methods: Investigation of Oxygen Fluoride Species”, Zainab H.A. Alsunaidi and Angela K. Wilson, Computational and Theoretical Chemistry, 1095, 71-82 (2016), DOI: 10.1039/c7sc00278e

“Reaction: Fundamental Science and Academic-Industrial Partnerships”, Angela K. Wilson, Chem 1, 176-177 (2016). (invited)

“Prediction of Thermochemical Properties across the Periodic Table: A Review of Effective correlation consistent Composite Approach (ccCA) Strategies”, Charles Peterson, Deborah A. Penchoff, and Angela K. Wilson, Annual Reports in Computational Chemistry 12, (2016). (invited), DOI: 10.1016/bs.arcc.2016.04.001

“Dissociation Energy and Electronic Structure of the Low Valent Lanthanide Compound NdF+”, Christopher South, George Schoendorff, and Angela K. Wilson, International Journal of Quantum Chemistry 116, 791 (2016). (invited), DOI: 10.1002/qua.25128

“Gauging the Performance of Density Functionals for Lanthanide-Containing Molecules”, Stephanie Grimmel, George Schoendorff, and Angela K. Wilson, J. Chem. Theor. Comp. 12, 1259 (2016), DOI: 10.1021/acs.jctc.5b01193

“4-Component Relativistic Calculations of L3 Ionization and Excitations for the Isoelectronic Species UO22+, OUN+, and UN2”, Christopher South, Avjit Shee, Debashis Mukherjee, Angela K. Wilson, and Trond Saue.  Phys Chem Chem Phys, 18, 21010-21023 (2016), DOI: 10.1039/C6CP00262E

“Oxidative Cleavage of the β-O-4 Linkage of Lignin by Transition Metals: Catalytic Properties and the Performance of Density Functionals”, Jiaqi Wang, Lily Liu, and Angela K. Wilson, J. Phys. Chem. A 120, 737 (2016), DOI: 10.1021/acs.jpca.5b08854

“Ab Initio Approaches for the Determination of Heavy Element Energetics: Ionization Energies of Trivalent Lanthanides (Ln = La-Eu)”, Charles Peterson, Deborah A. Penchoff, and Angela K. Wilson, Journal of Chemical Physics ,143, 194109 (2015), DOI: 10.1063/1.4935809

“Multireference Character for 4d Transition Metal-Containing Molecules”, Jiaqi Wang, Sivabalam Manivasagam, and Angela K. Wilson, Journal of Chemical Theory and Computation 11, 5865 (2015), DOI: 10.1021/acs.jctc.5b00861

“Do Composite Methods Achieve Their Target Accuracy?” Rebecca Weber and Angela K. Wilson, Computational and theoretical Chemistry 1072, 58-62 (2015), DOI: 10.1016/j.comptc.2015.08.015

“Behavior of the Sapporo-nZP Basis Set Family”, Rebecca Weber, Benjamin Hovda, George Schoendorff, and Angela K. Wilson, Chemical Physic Letter 637, 120-126 (2015), DOI: 10.1016/j.cplett.2015.08.007

“A Computational Study on the Ground and Excited States of Nickel Silicide”, George Schoendorff, Alexis R. Morris, Emily D. Hu, and Angela K. Wilson, Journal of Physical Chemistry A 119, 9630 (2015), DOI: 10.1021/acs.jpca.5b05661

“The Importance of Orbital Analysis”, Rebecca Weber, George Schoendorff, and Angela K. Wilson, Frontiers in Quantum Methods and Applications in Chemistry, Progress in Theoretical Chemical Physics, 29, 3-28 (2015).

“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”, John D. Determan, Pankaj Sinha, Angela K. Wilson, and Mohammad Omary, Journal of Physical Chemistry C,119, 2015 (2015), DOI: 10.1021/acs.jpcc.5b02429

“Ground and Excited Electronic State Analysis of PrF2+ and PmF2+”, George Schoendorff, Benjamin Chi, Hans Aijeren, and Angela K. Wilson, Journal of Physical Chemistry A,119, 1683 (2015), DOI: 10.1021/jp5083399

“Cleavage of the β-O-4 Linkage of Lignin Using Group 8 Pincer Complexes: A DFT Study", Cong Liu and Angela K. Wilson, Journal of Molecular Catalysis A-Chemical399, 33-41 (2015), DOI: 10.1016/j.molcata.2015.01.013

“Correlation Consistent Gaussian Basis Sets for the Atoms In-Xe”;, Andrew Mahler and Angela K. Wilson, Journal of Chemical Physics,142, 084102 (2015), DOI: 10.1063/1.4908030

“Pseudopotential-based correlation consistent Composite Approach (rcp-ccCA) for First- and Second-row Transition Metal Thermochemistry”, Sivabalan Manivasagam, Marie L. Laury, and Angela K. Wilson, Journal of Physical Chemistry A 119, 6867-6874 (2015). (July 3, 2015 cover article.), DOI: 10.1021/acs.jpca.5b02433

“Low Valency in the Lanthanides: a Theoretical Study of LnF (Ln=Nd, Lu)”, George Schoendorff and Angela K. Wilson, Journal of Chemical Physics, 140, 224314 (2014), DOI: 10.1063/1.4882135

“MR-ccCA: A Route for Accurate Ground and Excited State Potential Energy Curves and Spectroscopic Properties for Third-Row Molecules”, Christopher South and Angela K. Wilson, Computational and Theoretical Chemistry, 1040, 72-83 (2014), DOI: 10.1021/acs.jpca.5b02433

“High Potential Perfluorinated Phthalocyanine-Fullerene Dyads: Formation and Photoinduced Electron Transfer Studies”, Sushanta K. Das, Andrew Mahler, Angela K. Wilson, and Francis D’Souza, ChemPhysChem, 15, 2462 (2014), DOI: 10.1002/cphc.201402118

“Molecular dynamics studies of the protein-protein interactions in inhibitor of κB kinase-β”,  Michael Jones, Cong Liu, and Angela K. Wilson, Journal of Chemical Information and Modeling, 54, 562 (2014), DOI: 110.1021/ci400720n

“Electron Transfer Studies of High Potential Zinc Porphyrin-fullerene Supramolecular Dyads”, Sushana K. Das, Baiyun Song, Andrew Mahler, Vladimir Nesterov, Angela K. Wilson, Osama Ito, and Francis D’Souza, Journal of Physical Chemistry C, 118, 3994-4006 (2014), DOI: 10.1021/jp4118166

“Solv-ccCA: Implicit Solvation and the correlation consistent Composite Approach for the Determination of pKa”, Amanda G. Riojas and Angela K. Wilson, Journal of Chemical Theory and Computation, 10, 1500 (2014), DOI: 10.1021/ct400908z

“Selectivity in ROS-Induced Peptide Backbone Bond Cleavage”, Hannah M. Stringfellow, Michael R. Jones, Marcy C. Green, Angela K. Wilson, and Joseph S. Francisco, Journal of Physical Chemistry A, 118, 11399 (2014), DOI: 10.1021/jp508877m

“Explicitly Correlated Methods within the ccCA Methodology”, Andrew Mahler and Angela K. Wilson, Journcal of CHemical Theory and Computation, 9, 1402 (2013), DOI: 10.1021/ct300956e

“Spectroscopic Properties of Ar_x-Zn and Ar_x-Ag⁺ (x=1,2) van der Waals complexes”, Gbenga A. Oyedepo, Charles Peterson, and Angela K. Wilson, Journal of Chemical Physics, 138, 104116 (2013), DOI: 10.1063/1.4792144

“Bonding Properties of Selenium-Carbon Complexes: Computational Modeling of H₃CSEH, H₂CSe, HOCSeH, H₂CSeO, SeC, and HCSeOH”, John J. Determan and Angela K. Wilson, Computational and Theoretical Chemistry, 1017, 41 (2013), DOI: 10.1016/j.comptc.2013.04.020

“C-O Bond Cleavage of Dimethyl Ether by Transition Metal Ions: A Systematic Study on Catalytic Properties of Metals and Performance of DFT Functionals”, Cong Liu, Charles Peterson, and Angela K. Wilson, Journal of Physical Chemistry A, 117, 5140 (2013), DOI: 10.1021/jp312690e

“Complete Basis Set Limits of Local Second-Order Møller-Plesset Perturbation Theory”, Kameron R. Jorgensen, Vinay V. Ramasesh, Sonja Hannibal, Nathan J. DeYonker, and Angela K. Wilson, Molecular Physics, 111, 1178-1189 (2013), DOI: 10.1080/00268976.2013.809803

“Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study”, Michael L. Drummond, Thomas R. Cundari, and Angela K. Wilson, Journal of Physical Chemistry C, 117, 14717-14722 (2013), DOI: 10.1021/jp4053538

“Performance of Density Functional Theory for Second Row (4d) Transition Metal Thermochemistry”, Marie Laury and Angela K. Wilson, Journal of Chemical Theory and Computation, 9, 3939-3946 (2013), DOI: 10.1021/ct400379z

“A Neoteric Neodymium Model: Electronic Ground and Excited State Analysis of NdF²⁺”, George Schoendorff, Christopher South, and Angela K. Wilson, Journal of Physical Chemistry A, 117, 10881-10888 (2013). (cover article), DOI: 10.1021/jp404654d

“Periodic Trends in 3d Metal Mediated CO₂ Activation”, Cong Liu, Thomas R. Cundari, and Angela K. Wilson, in Applications of Molecular Modeling to Challenges in Clean Energy, Ed. George Fitzgerald, Chap. 5, pg. 67-88, 2013, (ACS Symposium Series, 2013).

“Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes”, Wanyi Jiang, Nathan DeYonker, John Determan, and Angela K. Wilson, Journal of Physical Chemistry A 116, 870 (2012). (cover article), DOI: 10.1021/jp205710e

“Multireference Character for 3d Transition Metal-Containing Molecules”, Wanyi Jiang, Nathan DeYounker, and Angela K. Wilson, Journal of Chemical Theory and Computation 8, 460 (2012). (cover article), DOI: 10.1021/ct2006852

“The Importance of Secondary Structure in Determining CO₂-Protein Binding Patterns”, Michael L. Drummond, Angela K. Wilson, and Thomas R. Cundari, Journal of Molecular Modeling 18, 2527 (2012), DOI: 10.1007/s00894-011-1276-0

“CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis”, Cong Liu, Thomas R. Cundari, and Angela K. Wilson, Journal of Physical Chemistry C 116, 5681 (2012), DOI: 10.1021/jp210480c

“Carbon Dioxide Migration Pathways in Proteins”, Michael L. Drummond, Angela K. Wilson, and Thomas R. Cundari, Journal of Physical Chemistry Letters 3, 830 (2012), DOI: 10.1021/jz3001085

“Enthalpies of Formation for Organosulfur Compounds: Atomization Energy and Hypohomodesmotic Reaction Schemes via Ab Initio Composite Methods”, Kameron R. Jorgensen and Angela K. Wilson, Computational and Theoretical Chemistry 991, 1 (2012), DOI: 10.1016/j.comptc.2012.03.003

“Incorporating a Completely Renormalized Coupled Cluster Approach into a Composite Method for Thermodynamic Properties and Reaction Paths”, Sean A. Nedd, Nathan J. DeYonker, Angela K. Wilson, Piotr Piecuch, and Mark S. Gordon, Journal of Chemical Physics 136, 144109 (2012), DOI: 110.1063/1.3700801

“Theoretical Prediction of FKrOH”, Brent R. Wilson, Katheryn Shi, and Angela K. Wilson, Chemical Physics Letters 537, 6 (2012), DOI: 10.1016/j.cplett.2012.04.003

“Protein-Based Carbon Capture: Progress and Potential”, Michael L. Dummond, Thomas R. Cundari, and Angela K. Wilson, Greenhouse Gases-Science and Technology 2, 223 (2012). (Invited Perspective (AKW)), DOI: 10.1002/ghg.1287

“Comment on the paper “Extensive Theoretical Studies of a New Energetic Material: Tetrazino-tetrazine-tetraoxide (TTT))” by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang”, Kameron R. Jorgensen and Angela K. Wilson, Journal of Computational Chemistry 33, 1967 (2012), DOI: 10.1002/jcc.23015

“Prediction of Hydrocarbon Enthalpies of Formation by Various Thermochemical Schemes”, Brent R. Wilson, Nathan J. DeYonker, and Angela K. Wilson, Journal of Computational Chemistry 33, 2032 (2012), DOI: 10.1002/jcc.23038

“Vibrational Frequency Scale Factors for Density Functional Theory (DFT) and the Polarization Consistent Basis Sets”, Marie L. Laury, Matthew J. Carlson, and Angela K. Wilson, Journal of Computational Chemistry 33, 2380 (2012), DOI: 10.1002/jcc.23073

“Proton Affinities of Deoxyribonucleosides via the ONIOM-ccCA Methodology”, Amanda G. Riojas, Joshua R. John, T. Gavin Williams, and Angela K. Wilson, Journal of Computational Chemistry 33, 2590 (2012).(cover article), DOI: 10.1002/jcc.23102

“Nature of Protein-CO₂ Interactions as Elucidated via Molecular Dynamics”, Michael L. Drummond, Angela K. Wilson, and Thomas R. Cundari, Journal of Physical Chemistry B 116, 11578 (2012).(cover article), DOI: 10.1021/jp304770h

“Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry”, Wanyi Jiang, Marie L. Laury, Mitchell Powell, and Angela K. Wilson, Journal of Chemical Theory and Computation 8, 4102 (2012), DOI: 10.1021/ct300455e

“Empirical Correction of Non-dynamical Correlation Energy for Density Functionals”, Wanyi Jiang, Chris C. Jeffrey, and Angela K. Wilson, Journal of Physical Chemistry A 116, 9969 (2012), DOI: 10.1021/jp305341a

“Interaction Energies of CO2·Amine Complexes: Effects of Amine Substituents”, Kameron R. Jorgensen, Thomas R. Cundari, and Angela K. Wilson, Journal of Physical Chemistry A 116, 10403 (2012), DOI: 10.1021/jp305347b

“Examining the Heavy p-block with a Pseudopotential-based Composite Method: Atomic and Molecular Applications of rp-ccCA”, Marie L. Laury and Angela K. Wilson, Journal of Chemical Physics, 137, 214111 (2012), DOI: 10.1063/1.4768420

“Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States”, Wanyi Jiang and Angela K. Wilson, in Annual Reviews of Computational Chemistry, v. 8, pg. 29-51. Ed., Ralph A. Wheeler. (Elsevier, 2012), DOI: 10.1016/B978-0-444-59440-2.00002-8

“A Pseudopotential-​Based Composite Method: The Relativistic Pseudopotential Correlation Consistent Composite Approach for Molecules Containing 4d Transition Metals (Y-​Cd)”, Marie Laury, Nathan J. DeYonker, Wanyi Jiang, and Angela K. Wilson, Journal of Chemical Physics 135, 214103 (2011), DOI: 10.1063/1.3662415

“Oxidative Addition of the Cα-Cβ Bond in the β-O-4 Linkage of Lignin to Transition Metals Using the Relativistic Pseudopotential ccCA-ONIOM Method”, Gbenga A. Oyedepo and Angela K. Wilson, ChemPhysChem, 12, 3320 (2011), DOI: 10.1002/cphc.201100483

“Accurate Predictions of the Energetics of Silicon Compounds using the Multireference correlation consistent Composite Approach (MR-ccCA)”, Gbenga Oyedepo, Charles Peterson, and Angela K. Wilson, Journal of Chemical Physics. 135, 094103 (2011), DOI: 10.1063/1.3626838

“Reaction Mechanism of the Reverse Water Gas Shift Reaction Using First-row Middle Transition Metal Complexes L'M (M: Fe, Mn, Co): A Computational Study”, Cong Liu, Thomas R. Cundari, and Angela K. Wilson, Inorganic Chemistry 50, 8782 (2011), DOI: 10.1021/ic200602v

“Harmonic Vibrational Frequencies: Scale Factors for Pure, Hydbrid, Hybrid Meta and Double-Hybrid Functionals in Conjunction with Correlation Consistent Basis Sets”, Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, and Angela K. Wilson, Journal of Computation Chemistry 32, 2339 (2011), DOI: 10.1002/jcc.21811

“The Correlation Consistent Composite Approach: The Spin Contamination Effect on an MP2-Based Composite Methodology”, T. Gavin Williams, Bryan Ho, Nathan J. DeYonker, and Angela K. Wilson, Chemical Physics Letter, 504, 88 (2011), DOI: 10.1016/j.cplett.2011.01.020

“Modeling the Photophysics of Znand Cd Monomers, Metallophilic Dimers, and Covalent Excimers”, John Determan, Mohammad Omary, and Angela K. Wilson, Journal of Physical Chemistry A 115, 374 (2011), DOI: 10.1021/jp108384s

“Highly Energetic Nitrogen Species: Reliable Energetics via the correlation consistent Composite Approach (ccCA)”, Kameron R. Jorgensen, Gbenga A. Oyedepo, and Angela K. Wilson, Journal of Hazardous Materials, 186, 583 (2011), DOI: 10.1016/j.jhazmat.2010.11.035

“Gaussian Basis Sets for Use in Correlated Molecular Calculations. VII. Valence, Core-Valence, and Scalar Relativistic Basis Sets for Li, Be, Na, and Mg”, Brian P. Prascher, David E. Woon, Kirk A. Peterson, Thom H. Dunning, Jr., and Angela K. Wilson, Theoretical Chemistry Accounts, 128, 69 (2011), DOI: 10.1007/s00214-010-0764-0

“Multireference Composite Approaches for the Accurate Study of Ground and Excited Electronic States: C2, N2, and O2”, Wanyi Jiang and Angela K. Wilson, Journal of Chemical Physics, 134, 034101 (2011), DOI: 10.1063/1.3514031

“First-Principle Study of Structure and Stability of Nickel Carbides”, Josh S. Gibson, Jamal Uddin, Thomas R. Cundari, Nelli K. Bodiford, and Angela K. Wilson, Journal of Physics-Condensed Matter 22, 445503 (2010), DOI: 10.1088/0953-8984/22/44/445503

“A QM/QM Multilayer Composite Methodology: The ONIOM correlation consistent Composite Approach (ONIOM-ccCA)”, Somak R.Das, T. Gavin Williams, Michael L. Drummond, and Angela K. Wilson, Journal of Physical Chemistry A, 114, 9394 (2010), DOI: 10.1021/jp1060396

“Multireference correlation consistent Composite Approach [MR-ccCA]: Toward Accurate Prediction of the Energetics of Excited and Transition State Chemistry”, Gbenga A. Oyedepo and Angela K. Wilson, Journal of Physical Chemistry A, 114, 8806 (2010), DOI: 10.1021/jp1017949

“Theoretical Studies on the Catalysis of the Reverse Water-Gas Shift Reaction Using First-Row Transition Metal β-Diketiminato Complexes”, Cong Liu, Lloyd Munjanja, Thomas R. Cundari, and Angela K. Wilson, journal of Physical Chemistry A, 114, 6207 (2010), DOI: 10.1021/jp911616y

“Modified Embedded Atoms Method Study of the Mechanical Properties of Carbon Nanotube Reinforced Nickel Composites”, J. Uddin, M.I. Baskes, S.G. Srivilliputhur, T.R. Cundari, and A.K. Wilson, Physical Review B 81, 104103 (2010), DOI: 10.1103/PhysRevB.81.104103

“Toward Greener Carbon Capture Technologies: A Pharmacophore-​Based Approach to Predict CO₂ Binding Sites in Proteins”, Michael Drummond, Thomas R. Cundari, and Angela K. Wilson, Energy and Fuels 24, 1464 (2010), DOI: 10.1021/ef901132v

“Structures and Thermochemistry of the Alkali Metal Monoxide Anions (MO-), Monoxide Radicals (MO*) and Hydroxides (MOH).” Benjamin Mintz, B. Chan, M.B. Sullivan, T. Buesgen, A.P. Scott, S.R. Kass, Leo Radom, and Angela K. Wilson, Journal of Physical Chemistry A 113, 9501 (2009), DOI: 10.1021/jp9034826

“CO2-formatics: How do Proteins Bind Carbon Dioxide?”, Thomas R. Cundari, Angela K. Wilson, Michael Drummond, Hector Gonzalez, Kameron Jorgensen, Stacy Payne, Jordan Braunfeld, Margarita De Jesus, and Vanessa Johnson, Journal of Chemical Information and Modeling 49, 2111 (2009), DOI: 10.1021/ci9002377

“Accurate Thermochemistry for Transition Metal Complexes from First-Principles Calculations.” Nathan DeYonker, T. Gavin Williams, Adam E. Imel, Thomas R. Cundari, and Angela K. Wilson, Journal of Chemical Physics, 131, 024106 (2009), DOI: 10.1063/1.3160667

“Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Assessment of the Correlation Consistent Basis Sets.” Sammer M. Tekarli, M.L. Drummond, T. Gavin Williams, Thomas R. Cundari, and Angela K. Wilson, Journal of Physical Chemistry A 113, 8607 (2009), DOI: 10.1021/jp811503v

“The Resolution of the Identity Approximation Applied to the correlation consistent Composite Approach (ccCA).” Brian P. Prascher, Jeremy D. Lai, and Angela K. Wilson, Journal of Chemical Physics 131, 044130 (2009), DOI: 10.1063/1.3176507

“The Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthlapy of 1,4-Cyclohexadiene: An Experimental and Computational Re-evaluation.” Yide Gao, Nathan J. DeYonker, E. Chauncey Garrett III, Angela K. Wilson, Thomas R. Cundari, and Paul Marshall, Journal of Physical Chemistry A 113, 6955 (2009), DOI: 10.1021/jp901314y

“Computation of Potential Energy Surfaces with the Multi-reference correlation consistent Composite Approach (MR-ccCA).” Benjamin Mintz, T. Gavin Williams, Levi Howard, and Angela K. Wilson, Journal of Chemical Physics 130, 234104 (2009)., DOI: 10.1063/1.3149387

“Toward the Intrinsic Error of the correlation consistent Composite Approach (ccCA).” Nathan J. DeYonker, Brent R. Wilson, Aaron W. Pierpont, Thomas R. Cundari, and Angela K. Wilson, Molecular Physics 107, 1107 (2009), DOI: 10.1080/00268970902744359

“A CCSD(T) and ccCA study of mixed silicon hydrides and halides: Structures and thermochemistry.”Brian P. Prascher, Rebecca M. Lucente-Schultz and Angela K. Wilson, Chemical Physics 359, 1 (2009), DOI: 10.1016/j.chemphys.2009.02.009

“Basis set requirements for interactions in ionic systems: LiCl.”Benjamin Mintz, Angela K. Wilson and Paul S. Bagus, Chemcial Physics Letters 468, 286 (2009), DOI: 10.1016/j.cplett.2008.12.010

“Application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.” Nathan J. DeYonker, Benjamin Mintz, Thomas R. Cundari and Angela K. Wilson, Journal of Chemical Theory and Computation 4, 328 (2008), DOI: 10.1021/ct7002463

“Performance of the correlation-consistent composite approach for sulfur species.” T. Gavin Williams and Angela K. Wilson, Journal of Sulfur Chemistry 29, 353 (2008), DOI: 10.1016/10.1080/17415990802195599

“Core-valence correlation consistent basis sets for second-row atoms (Al-Ar) revisited.” Scott M. Yockel and Angela K. Wilson, Theoretical Chemistry Accounts. 120, 119 (2008), DOI: 10.1007/s00214-007-0309-3

“Hartree-Fock complete basis set limit properties for transition metal diatomics.” T. Gavin Williams, Nathan J. DeYonker and Angela K. Wilson, Journal of Chemical Physics 128, 044101/1 (2008), DOI: 10.1063/1.2822907

“High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview.” Micheal E. Harding, Juana Vazquez, Branko Ruscic, Angela K. Wilson, Jurgen Gauss and John F. Stanton, Journal of Chemical Physics 128, 114111/1 (2008), DOI: 10.1063/1.2835612

“Importance of the quality of metal and ligand basis sets in transition metal species.” T. Gavin Williams and Angela K. Wilson, Journal of Chemcial Physics 129, 054108/1 (2008), DOI: 10.1063/1.2951990

“Theoretical investigation of the germanium arsenides.” Brian P. Prascher, A. M. Kavi, Benjamin Mintz, Scott M. Yockel and Angela K. Wilson, Chemical Physics 353, 209 (2008), DOI: 10.1016/j.chemphys.2008.08.018

“Photophysics and bonding in neutral gold(I) organometallic complexes with an extended aurophilic supramolecular structure.” Oussama Elbjeirami, Scott M. Yockel, Charles F. Campana, Angela K. Wilson and Mohammad A. Omary, Organometallics 26, 2550 (2007), DOI: 10.1021/om060524t

“Truncation of the correlation consistent basis sets: Application to extended systems.” Benjamin Mintz, Sage Driskell, Amy Shah and Angela K. Wilson, international Journal of Quantum Chemistry 107, 3077 (2007), DOI: 10.1002/qua.21493

“Photophysics of bis(thiocyanato)gold(I) complexes: Intriguing structure-luminescence relationships.” Ravi K. Arvapally, Pamkaj Sinha, Samanthika R. Hettiarachchi, Nathan L. Coker, Charles E. Bedel, Howard H. Patterson, R. C. Elder, Angela K. Wilson and Mohammad A. Omary, Journal of Physical Chemistry C 111, 10689 (2007), DOI: 10.1021/jp0719356

“Computational s-block thermochemistry with the correlation consistent composite approach.” Nathan J. DeYonker, Dustin S. Ho, Angela K. Wilson and Thomas R. Cundari, Journal of Physical Chemistry A 111, 10776 (2007), DOI: 10.1021/jp0736241

“Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, Cl).” Scott M. Yockel, Evan Gawlik and Angela K. Wilson, Journal of Physical Chemistry A 111, 11261 (2007), DOI: 10.1021/jp071242p

“Quantitative computational thermochemistry of transition metal species.” Nathan J. DeYonker, Kirk A. Peterson, Gideon Steyl, Angela K. Wilson and Thomas R. Cundari, Journal of Physical Chemistry A 111, 11269 (2007), DOI: 10.1021/jp0715023

“Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: The third-row atoms gallium through krypton.” Nathan J. DeYonker, Kirk A. Peterson and Angela K. Wilson, Journal of Physical Chemistry A 111, 11383 (2007), DOI: 10.1021/jp0747757

“The behavior of density functionals with respect to basis set. V. Recontraction of correlation consistent basis sets.” Brian P. Prascher and Angela K. Wilson, Molecular Physics , 105, 2899-2917 (2007), DOI: 10.1080/00268970701749278

“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, Journal of Chemical Physics 127, 124110/1 (2007), DOI: 10.1063/1.2768602

“Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory.” Thomas V. Grimes, Angela K. Wilson, Nathan J. DeYonker and Thomas R. Cundari, Journal of Chemical Physics 127, 154117/1 (2007), DOI: 10.1063/1.2790011

“A computational study of dihalogen-u-dichalcogenides: XAAX (X = F, Cl, Br; A = S, Se).” Brian P. Prascher and Angela K. Wilson, Journal of Molecular Structure-TheoChem 814, 1 (2007), DOI: 10.1016/j.theochem.2007.02.0400

“Behavior of density functionals with respect to basis set. III. Basis set superposition error.” Nick X. Wang, K. Venkatesh and Angela K. Wilson, JJournal oh Physical Chemistry A 110, 779 (2006), DOI: 10.1021/jp0541664

“Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: Assessment of the correlation consistent composite approach (ccCA).” Dustin S. Ho, Nathan J. DeYonker, Angela K. Wilson and Thomas R. Cundari, Journal of Physical Chemistry A 110, 9767 (2006), DOI: 10.1021/jp062624i

“The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods.” Nathan J. DeYonker, Thomas R. Cundari and Angela K. Wilson, Journal of Chemical Physics 124, 114104/1 (2006), DOI: 10.1063/1.2173988

“The correlation-consistent composite approach: Application to the G3/99 test set.” Nathan J. DeYonker, Thomas V. Grimes, Scott M. Yockel, Adriana Dinescu, Benjamin Mintz, Thomas R. Cundari and Angela K. Wilson, Journal of Chemical Physics 125, 104111/1 (2006), DOI: 10.1063/1.2236116

“SO3 revisited: Impact of tight d augmented correlation consistent basis sets on atomization energy and structure. [Erratum]” Scott M. Yockel and Angela K. Wilson, Chemical Physics Letters 429, 645 (2006), DOI: 10.1016/j.cplett.2006.08.002

“Computation of gas-phase enthalpies of formation with chemical accuracy: The curious case of 3-nitroaniline.” Nathan J. DeYonker, Thomas R. Cundari, Angela K. Wilson, Chanchaldeep A. Sood and David H. Magers, Journal of Molecular Structure-TheoChem 775, 77 (2006), DOI: 10.1016/j.theochem.2006.08.018

“Behaviour of density functionals with respect to basis set. II. Polarization consistent basis sets.” Nick X. Wang and Angela K. Wilson, Molecular Physics 2005, 103, 345, DOI: 10.1080/00268970512331317264

“Electronic structure of mercury oligomers and exciplexes: Models for long-range/multicenter bonding in phosphorescent transition metal compounds.” Mohammad A. Omary, Pamkaj Sinha, Paul S. Bagus and Angela K. Wilson, Journal of Physical Chemistry A 109, 690 (2005), DOI: 10.1021/jp045143c

“Density functional theory and the correlation consistent basis sets: The tight d effect on HSO and HOS.” Nick X. Wang and Angela K. Wilson, Journal of Physical Chemistry A 109, 7187 (2005), DOI: 10.1021/jp045622b

“Structures and thermochemistry of calcium-containing molecules.” Naomie L. Haworth, Micheal B. Sullivan, Angela K. Wilson, Jan M. L. Martin and Leo Radom, Journal of Physical Chemistry A 109, 9156 (2005), DOI: 10.1021/jp052889h

“Truncation of the correlation consistent basis sets: Extension to third-row (Ga-Kr) molecules.” Benjamin Mintz and Angela K. Wilson, Journal of Chemical Physics 122, 134106/1 (2005), DOI: 10.1063/1.1867412

“Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials.” Scott M. Yockel and Angela K. Wilson, Journal of Chemical Physics 122, 174310/1 (2005), DOI: 10.1063/1.1888571

“Beyond a T-shape.” Pamkaj Sinha, Angela K. Wilson and Mohammad A. Omary, Journal of the American Chemical Society 127, 12488 (2005), DOI: 10.1016/10.1021/ja053895u

“Calculation of the enthalpies of formation for transition metal complexes.” Thomas R. Cundari, H. Arturo Ruiz Leza, Thomas V. Grimes, Gideon Steyl, Aubri Waters and Angela K. Wilson, Chemical Physics Letters 401, 58 (2005), DOI: 10.1016/j.cplett.2004.11.021

“The existence of FKrCF3, FKrSiF3, and FKrGeF3: A theoretical study.” Scott M. Yockel, A. Garg and Angela K. Wilson, Chemical Physics Letters 411, 91 (2005), DOI: 10.1016/j.cplett.2005.06.014

“The HSO-SOH isomers revisited: The effect of tight d functions.” Angela K. Wilson and D. J. Thom Dunning, Journal of Physical Chemistry A 108, 3129 (2004), DOI: 10.1021/jp037160s

“Harmonic vibrational frequencies: Scaling factors for HF, B3LYP, and MP2 methods in combination with the correlation consistent basis sets.” Pamkaj Sinha, Scott E. Boesch, Changming Gu, Raslph A. Wheeler and Angela K. Wilson, Journal of Phsysical Chemistry A 108, 9213 (2004), DOI: 10.1021/jp048233q

“Accurate energetics of small molecules containing third-row atoms Ga-Kr: A comparison of advanced ab initio and density functional theory.” Scott M. Yockel, Benjamin Mintz and Angela K. Wilson, Journal of Chemical Physics 121, 60 (2004), DOI: 10.1063/1.1755675

“Truncation of the correlation consistent basis sets: An effective approach to the reduction of computational cost?” Benjamin Mintz, Kristin P. Lennox and Angela K. Wilson, Journal of Chemical Physics 121, 5629 (2004), DOI: 10.1063/1.1785145

“The behavior of density functionals with respect to basis set. I. The correlation consistent basis sets.” Nick X. Wang and Angela K. Wilson, Journal of Chemical Physcis 121, 7632 (2004), DOI: 10.1063/1.1792071

“An ab initio study of the noble gas compound HKrCl.” Scott M. Yockel, James J. Seals III and Angela K. Wilson, Chemical Physics Letters 393, 448 (2004), DOI: 10.1016/j.cplett.2004.06.082

“SO3 revisited: Impact of tight d augmented correlation consistent basis sets on atomization energy and structure.” Ray. D. Bell and Angela K. Wilson, Chemical Physcis Letters 394, 105 (2004), DOI: 10.1016/j.cplett.2004.06.127