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Physical Chemistry Chemical Physics : PCCP|September 23, 2020
Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomoleculesMinho Kim, Tim Gould, Dario Rocca, et al.Journal of Chemical Theory and Computation|March 10, 2021
Self-Interaction-Corrected Random Phase ApproximationShiqi Ruan, Xinguo Ren, Tim Gould, et al.The Journal of Chemical Physics|February 10, 2020
What do we learn from the classical turning surface of the Kohn-Sham potential as electron number is varied continuously?Tim Gould, Benjamin T Liberles, John P PerdewJournal of Chemical Information and Modeling|December 26, 2023
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid BilayersAfshin Zamani Zakaria, Alpeshkumar K Malde, Tim GouldChemical Science|July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical spaceTim Gould, Bun Chan, Stephen G Dale, et al.Journal of Chemical Theory and Computation|December 14, 2016
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion CalculationsTim Gould, Sébastien Lebègue, János G Ángyán, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 13, 2016
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementationTomáš Bučko, Sébastien Lebègue, Tim Gould, et al.The Journal of Physical Chemistry Letters|March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and ApproximationsTim Gould, Zahed Hashimi, Leeor Kronik, et al.Journal of Chemical Theory and Computation|November 8, 2017
Casimir-Polder Size Consistency: A Constraint Violated by Some Dispersion TheoriesTim Gould, Julien Toulouse, János G Ángyán, et al.Proceedings of the National Academy of Sciences of the United States of America|October 18, 2018
Faraday cage screening reveals intrinsic aspects of the van der Waals attractionMusen Li, Jeffrey R Reimers, John F Dobson, et al.Pageof 8