Theresa L. Windus

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Kowalski K, Bair R, Bauman NP, et al. (2021) From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. Chemical Reviews
Aprà E, Bylaska EJ, de Jong WA, et al. (2020) NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102
Alexander F, Almgren A, Bell J, et al. (2020) Exascale applications: skin in the game. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 378: 20190056
Krylov A, Windus TL, Barnes T, et al. (2018) Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science. The Journal of Chemical Physics. 149: 180901
Schmidt BM, Ho H, Basemann K, et al. (2018) Redox Chemistry of Bis(oxazolinyl)cyclopentadienyl and -fluorenyl Rhodium and Iridium Organometallic Compounds Organometallics. 37: 4055-4069
Boschen JS, Theis D, Ruedenberg K, et al. (2017) Correlation Energy Extrapolation by Many-Body Expansion. The Journal of Physical Chemistry. A
Lee J, Boschen JS, Windus TL, et al. (2017) Stabilization of X–Au–X Complexes on the Au(111) Surface: A Theoretical Investigation and Comparison of X = S, Cl, CH3S, and SiH3S The Journal of Physical Chemistry C. 121: 3870-3879
McCann BW, Silva N, Windus TL, et al. (2016) Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants. Inorganic Chemistry
Schmidt MW, Hull EA, Windus TL. (2015) Valence Virtual Orbitals: An Unambiguous ab Initio Quantification of the LUMO Concept. The Journal of Physical Chemistry. A. 119: 10408-27
Fought EL, Chatterjee S, Windus TL, et al. (2015) Computational and NMR Spectroscopic Evidence for Stereochemistry-Dependent Conformations of 2,2,6,6-Tetramethylpiperidinyl-Masked 1,2-Diols. The Journal of Organic Chemistry