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Journal of Chemical Information and Modeling|June 17, 2025
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand ComplexesCaroline S Glick, Isabel P Berry, C David SherrillThe Journal of Chemical Physics|May 2, 2025
Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimersCaroline S Glick, Rameshwar L Kumawat, C David SherrillThe Journal of Chemical Physics|October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theoryCaroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.Chemical Science|August 26, 2024
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracyZachary L Glick, Derek P Metcalf, Caroline S Glick, et al.Accounts of Chemical Research|October 2, 2012
Energy component analysis of π interactionsC David SherrillThe Journal of Chemical Physics|March 25, 2010
Frontiers in electronic structure theoryC David SherrillThe Journal of Chemical Physics|April 20, 2005
The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarksC David Sherrill, Piotr PiecuchThe Journal of Chemical Physics|May 17, 2013
Analytic energy gradients for the orbital-optimized second-order Møller-Plesset perturbation theoryUğur Bozkaya, C David SherrillPhysical Chemistry Chemical Physics : PCCP|January 3, 2008
Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactionsTait Takatani, C David SherrillThe Journal of Chemical Physics|March 3, 2005
High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6Berhane Temelso, C David SherrillPageof 16