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List of works by Baron Peters

Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria

scientific article published on 01 December 2020

Diabat method for polymorph free energies: Extension to molecular crystals

scientific article published on 01 December 2020

How fluxional reactants limit the accuracy/efficiency of infrequent metadynamics

scientific article published on 01 August 2020

Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalyst

scientific article published on 01 December 2020

Nucleation and Growth Kinetics from LaMer Burst Data.

scientific article published on 20 September 2017

Performing solvation free energy calculations in LAMMPS using the decoupling approach

scientific article published on 28 February 2020

Polyethylene upcycling to long-chain alkylaromatics by tandem hydrogenolysis/aromatization

scientific article published on 01 October 2020

Solid-solid phase equilibria in the NaCl-KCl system

scientific article published on 01 April 2020

Soluble Oligomeric Nucleants: Simulations of Chain Length, Binding Strength, and Volume Fraction Effects.

scientific article

Solvent reaction coordinate for an SN2 reaction

scientific article published on 01 July 2020

The overdamped transmission coefficient: Recovering the true mean first passage time from an inaccurate reaction coordinate

scientific article published on 01 November 2019

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