| 1 |
Preface
Maurya MR, Kawi S, Wilson AK
Catalysis Today, 358, 1, 2020 |
| 2 |
Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation
Patel P, Wilson AK
Catalysis Today, 358, 422, 2020 |
| 3 |
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium-Ligand Bonds
Bao JL, Welch BK, Ulusoy IS, Zhang X, Xu XF, Wilson AK, Truhlar DG
Journal of Physical Chemistry A, 124(47), 9757, 2020 |
| 4 |
Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory
Thimmakondu VS, Ulusoy I, Wilson AK, Karton A
Journal of Physical Chemistry A, 123(30), 6618, 2019 |
| 5 |
Impact of intracellular ionic strength on dimer binding in the NF-kappa B Inducing kinase
Jones MR, Yue J, Wilson AK
Journal of Structural Biology, 202(3), 183, 2018 |
| 6 |
Importance of the ligand basis set in ab initio thermochemical calculations of transition metal species
Plascencia C, Wang JQ, Wilson AK
Chemical Physics Letters, 685, 496, 2017 |
| 7 |
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe
Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Wilson AK, Gordon MS
Journal of Physical Chemistry A, 121(18), 3588, 2017 |
| 8 |
Oxidative Cleavage of the beta-O-4 Linkage of Lignin by Transition Metals: Catalytic Properties and the Performance of Density Functionals
Wang JQ, Liu LL, Wilson AK
Journal of Physical Chemistry A, 120(5), 737, 2016 |
| 9 |
Behavior of the Sapporo-nZP-2012 basis set family
Weber R, Hovda B, Schoendorff G, Wilson AK
Chemical Physics Letters, 637, 120, 2015 |
| 10 |
Cleavage of the beta-O-4 linkage of lignin using group 8 pincer complexes: A DFT study
Liu C, Wilson AK
Journal of Molecular Catalysis A-Chemical, 399, 33, 2015 |
