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The Journal of Chemical Physics|August 31, 2004
Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theoryBaron Peters, Alexis T Bell, Arup Chakraborty
The Journal of Chemical Physics|December 9, 2020
Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibriaVikram Khanna, Michael F Doherty, Baron Peters
Faraday Discussions|May 8, 2015
A design equation for low dosage additives that accelerate nucleationGeoffrey G Poon, Stefan Seritan, Baron Peters
Journal of Chemical Theory and Computation|November 19, 2015
Transmission Coefficients, Committors, and Solvent Coordinates in Ion-Pair DissociationRyan Gotchy Mullen, Joan-Emma Shea, Baron Peters
Journal of Chemical Theory and Computation|November 18, 2015
Easy transition path sampling methods: flexible-length aimless shooting and permutation shootingRyan Gotchy Mullen, Joan-Emma Shea, Baron Peters
The Journal of Chemical Physics|December 31, 2020
Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalystCraig A Vandervelden, Salman A Khan, Baron Peters
The Journal of Physical Chemistry. B|June 6, 2008
Evidence for a size dependent nucleation mechanism in solid state polymorph transformationsGregg T Beckham, Baron Peters, Bernhardt L Trout
The Journal of Chemical Physics|August 11, 2020
How fluxional reactants limit the accuracy/efficiency of infrequent metadynamicsSalman A Khan, Bradley M Dickson, Baron Peters
The Journal of Chemical Physics|August 12, 2017
Critical length of a one-dimensional nucleusMark N Joswiak, Michael F Doherty, Baron Peters
The Journal of Chemical Physics|April 26, 2011
A simulation test of the optical Kerr mechanism for laser-induced nucleationBrandon C Knott, Michael F Doherty, Baron Peters
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