Publications

2020

92. "The design of a processive polymer upcycling catalyst", A. L. Paterson, A. Tennakoon, X. Wu, S. Patnaik, Y. Pei, A. M. LaPointe, S. C. Ammal, R. A. Hackler, A. Heyden, I. I. Slowing, G. W. Coates, M. Delferro, M. Pruski, M. Pruski, B. Peters, W. Huang, A. D. Sadow, F. A. Perras, Nat. Chem., (in review).

91. "Secondary effectiveness factors and solubility effects for catalytic reactions in series", B. Peters, ACS Catal., (2019).

90. "Solid-solid phase equilibria in the NaCl-KCl system", J. Anwar, C. Leitold, B. Peters, J. Chem. Phys., (in press).

89. "Solvent reaction coordinate for an SN2 reaction", C. Leitold, C. J. Mundy, M. D. Baer, G. Schenter, B. Peters, J. Chem. Phys., (in review).

88. "Tandem catalysts for polyethylene upcycling: a simple kinetic model", D. Guironnet, B. Peters, J. Phys. Chem. B., (in review).

87. "Performing solvation free energy calculations in LAMMPS using the decoupling approach", V. Khanna, J. I. Monroe, M. F. Doherty, B. Peters, J. Comp. Aided Molec. Design, Feb. (2020).

86. "Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm", C. Vandervelden, S. A. Khan, S. L. Scott, B. Peters, React. Chem. Eng., 77-86 (2020).

85. "Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression", S. A. Khan, C. Vandervelden, S. L. Scott, B. Peters, React. Chem. Eng., 5, 66-76 (2020).

2015


60. "Accelerated nucleation due to trace additives: a fluctuating coverage model," G. G. Poon, B. Peters, J. Phys. Chem. B. 120 (8), pp 1679–1684 (2015).


59. "Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates," N. E. R. Zimmermann, B. Vorselaars, D. Quigley, B. Peters, J. Am. Chem. Soc 137, 13352–13361 (2015).


58. "Nucleation in complex multi-component and multi-phase systems: general discussion," S. Price et al., Faraday Disc. 179, 503-542 (2015).


57. "Solvent and additive interactions as determinants in the nucleation pathway: general discussion," C. C. Sun et al.,Faraday Disc. 179, 383-420 (2015).


56. "Reexamining the evidence for proton transfers in ethylene polymerization," B. Peters, S. L. Scott, A. Fong, Y. Wang, A. E. Stiegman, Proc. Natl. Acad. Sci. 112, 31 (2015).


55. "Rate-enhancing roles of water molecules in methyltrioxorhenium-catalyzed olefin epoxidation by hydrogen peroxide," B. R. Goldsmith, T. Hwang, S. Seritan, B. Peters, S. L. Scott, J. Am. Chem. Soc. 137, 9604 (2015).


54. "Easy transition path sampling methods: Flexible length aimless shooting and permutation shooting," R. Mullen, J-E. Shea, B. Peters, J. Chem. Theory Comput. 11, 2421 (2015).


53. "Common features of extraordinary rate theories," B. Peters, J. Phys. Chem. B 119, 6349 (2015).


52. "Computational kinetic discrimination of ethylene polymerization mechanisms for the Phillips (Cr/SiO2) catalyst," A. Fong, Y. Yuan, S. Ivry, S. L. Scott, B. Peters, ACS Catal. 5, 3360 (2015).


51. "Single atom catalysts on amorphous supports: A quenched disorder perspective," B. Peters and S. L. Scott, J. Chem. Phys. 142, 104708 (2015).


50. "Synthesis and characterization of a Cu14 hydride cluster supported by neutral donor ligands," T-A. D. Nguyen, B. R. Goldsmith, H. T. Zaman, G.Wu, B. Peters, T. W. Hayton, Chem. Eur. J. 21, 5341 (2015).


49. "FD Nucleation: A design equation for low dosage additives that accelerate nucleation," G. G. Poon, S. Seritan, and B. Peters, Faraday Discuss. 179, 329 (2015).