Baron Peters

Best Publications

• Advances in methods and algorithms in a modern quantum chemistry program package

  Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  3150
  Citations

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

  Fan Zhang;Manhao Zeng;Ryan D. Yappert;Jiakai Sun

  775
  Citations

• Catalytic upcycling of high-density polyethylene via a processive mechanism

  Akalanka Tennakoon;Xun Wu;Alexander L. Paterson;Smita Patnaik

  466
  Citations

• A growing string method for determining transition states: Comparison to the nudged elastic band and string methods

  Baron G Peters;Andreas Heyden;Alexis T. Bell;Arup Chakraborty

  455
  Citations

• Obtaining reaction coordinates by likelihood maximization.

  Baron Peters;Bernhardt L. Trout

  448
  Citations

• Homogeneous nucleation of methane hydrates: unrealistic under realistic conditions.

  Brandon C. Knott;Valeria Molinero;Michael F. Doherty;Baron Peters

  299
  Citations

• Role of stacking disorder in ice nucleation.

  Laura Lupi;Arpa Hudait;Baron Peters;Michael Grünwald

  258
  Citations

• Molecular-level origins of biomass recalcitrance: decrystallization free energies for four common cellulose polymorphs.

  Gregg T. Beckham;Gregg T. Beckham;Gregg T. Beckham;James F. Matthews;Baron Peters;Yannick J. Bomble

  249
  Citations

• Strictosidine synthase: mechanism of a Pictet-Spengler catalyzing enzyme.

  Justin J. Maresh;Lesley Ann Giddings;Anne Friedrich;Elke A. Loris

  241
  Citations

• Extensions to the likelihood maximization approach for finding reaction coordinates

  Baron Peters;Gregg T. Beckham;Bernhardt L. Trout

  228
  Citations

• Reaction Rate Theory and Rare Events

  Baron Peters

  227
  Citations

• Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5.

  Andreas Heyden;Baron Peters;and Alexis T. Bell;Frerich J. Keil

  222
  Citations

• Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates.

  Nils E. R. Zimmermann;Bart Vorselaars;David Quigley;Baron Peters

  199
  Citations

• Reaction Coordinates and Mechanistic Hypothesis Tests

  Baron Peters

  198
  Citations

• Size-Controlled Nanoparticles Embedded in a Mesoporous Architecture Leading to Efficient and Selective Hydrogenolysis of Polyolefins.

  Unknown

  197
  Citations

• Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids

  Bryan R. Goldsmith;Bryan R. Goldsmith;Baron Peters;J. Karl Johnson;Bruce C. Gates

  188
  Citations

• Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis

  Unknown

  171
  Citations

• Path sampling calculation of methane diffusivity in natural gas hydrates from a water-vacancy assisted mechanism

  Baron Peters;Nils E R Zimmermann;Gregg T Beckham;Jefferson W Tester

  154
  Citations

• Using the histogram test to quantify reaction coordinate error.

  Baron Peters

  120
  Citations

• Methane Clathrate Hydrate Nucleation Mechanism by Advanced Molecular Simulations

  Marco Lauricella;Simone Meloni;Simone Meloni;Niall J. English;Baron Peters

  111
  Citations

• Transmission Coefficients, Committors, and Solvent Coordinates in Ion-Pair Dissociation.

  Ryan Gotchy Mullen;Joan Emma Shea;Baron G Peters

  111
  Citations

• Surface-mediated nucleation in the solid-state polymorph transformation of terephthalic acid.

  Gregg T. Beckham;Baron G Peters;Cíndy Starbuck;Narayan Varíankaval

  94
  Citations