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Journal of Chemical Theory and Computation|April 7, 2016
Energy Decomposition Analysis with a Stable Charge-Transfer Term for Interpreting Intermolecular InteractionsKa Un Lao, John M HerbertThe Journal of Chemical Physics|July 26, 2013
An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) methodKa Un Lao, John M HerbertThe Journal of Chemical Physics|February 12, 2015
Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionalsKa Un Lao, John M HerbertThe Journal of Physical Chemistry. A|February 17, 2012
Breakdown of the single-exchange approximation in third-order symmetry-adapted perturbation theoryKa Un Lao, John M HerbertThe Journal of Physical Chemistry. A|November 20, 2014
Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: the XSAPT family of methodsKa Un Lao, John M HerbertJournal of Chemical Theory and Computation|September 11, 2018
A Simple Correction for Nonadditive Dispersion within Extended Symmetry-Adapted Perturbation Theory (XSAPT)Ka Un Lao, John M HerbertJournal of Chemical Theory and Computation|April 17, 2018
Atomic Orbital Implementation of Extended Symmetry-Adapted Perturbation Theory (XSAPT) and Benchmark Calculations for Large Supramolecular ComplexesKa Un Lao, John M HerbertThe Journal of Chemical Physics|December 17, 2013
Approaching the complete-basis limit with a truncated many-body expansionRyan M Richard, Ka Un Lao, John M HerbertThe Journal of Chemical Physics|July 10, 2014
Understanding the many-body expansion for large systems. I. Precision considerationsRyan M Richard, Ka Un Lao, John M HerbertAccounts of Chemical Research|June 3, 2014
Aiming for benchmark accuracy with the many-body expansionRyan M Richard, Ka Un Lao, John M HerbertPageof 19