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The Journal of Chemical Physics|March 10, 2011
An efficient, fragment-based electronic structure method for molecular systems: self-consistent polarization with perturbative two-body exchange and dispersionLeif D Jacobson, John M HerbertThe Journal of Physical Chemistry Letters|March 10, 2017
Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline TetraceneAdrian F Morrison, John M HerbertThe Journal of Chemical Physics|November 4, 2017
Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffsKuan-Yu Liu, John M HerbertJournal of Chemical Theory and Computation|November 26, 2015
Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. II. Corrections for Salt EffectsAdrian W Lange, 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|May 4, 2026
Benchmark assessment of collinear, mixed-reference, and spin-adapted variants of spin-flip time-dependent density functional theory, for closed- and open-shell moleculesAvik Kumar Ojha, John M HerbertChemical Science|June 7, 2021
Electrostatics does not dictate the slip-stacked arrangement of aromatic π-π interactionsKevin Carter-Fenk, John M HerbertPageof 15