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The Journal of Chemical Physics|January 14, 2012
Basis set dependence of higher-order correlation effects in π-type interactionsEmily J Carrell, Cara M Thorne, Gregory S TschumperJournal of Chemical Theory and Computation|November 26, 2015
Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCPEdward G Hohenstein, Heather M Jaeger, Emily J Carrell, et al.The Journal of Chemical Physics|April 8, 2025
Systematic characterization of the homogeneous and heterogeneous hydrogen halide dimersYuan Xue, Gregory S TschumperJournal of Chemical Theory and Computation|March 22, 2016
Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational FrequenciesEric Van Dornshuld, Gregory S TschumperThe Journal of Physical Chemistry. A|June 2, 2022
Characterization of Competing Halogen- and Hydrogen-Bonding Motifs in Simple Mixed Dimers of HCN and HX (X = F, Cl, Br, and I)Morgan A Perkins, Gregory S TschumperJournal of Computational Chemistry|August 20, 2003
A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systemsBrian W Hopkins, Gregory S TschumperThe Journal of Physical Chemistry. A|July 8, 2024
Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF5- and SiF62- via Comparisons with BF4- and PF6Jacquelyn J Mosely, Gregory S TschumperJournal of Computational Chemistry|January 10, 2018
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?Sarah N Johnson, Gregory S TschumperThe Journal of Physical Chemistry. A|June 2, 2006
Characterizing the potential energy surface of the water dimer with DFT: failures of some popular functionals for hydrogen bondingJulie A Anderson, Gregory S TschumperJournal of Chemical Theory and Computation|November 24, 2015
Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian IndicesKari L Copeland, Gregory S TschumperPageof 8