Baron G Peters

20002020

Research output per year

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Research Output

Grafting metal complexes onto amorphous supports: From elementary steps to catalyst site populations: Via kernel regression

Khan, S. A., Vandervelden, C. A., Scott, S. L. & Peters, B., Jan 2020, In : Reaction Chemistry and Engineering. 5, 1, p. 66-76 11 p.

Research output: Contribution to journalArticle

  • Performing solvation free energy calculations in LAMMPS using the decoupling approach

    Khanna, V., Monroe, J. I., Doherty, M. F. & Peters, B., Jan 1 2020, (Accepted/In press) In : Journal of Computer-Aided Molecular Design.

    Research output: Contribution to journalArticle

  • Site-averaged kinetics for catalysts on amorphous supports: An importance learning algorithm

    Vandervelden, C. A., Khan, S. A., Scott, S. L. & Peters, B., Jan 2020, In : Reaction Chemistry and Engineering. 5, 1, p. 77-86 10 p.

    Research output: Contribution to journalArticle

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

    Yappert, R., Kamat, K. & Peters, B., Nov 14 2019, In : Journal of Chemical Physics. 151, 18, 184108.

    Research output: Contribution to journalArticle

  • Computational Support for Phillips Catalyst Initiation via Cr-C Bond Homolysis in a Chromacyclopentane Site

    Fong, A., Vandervelden, C., Scott, S. L. & Peters, B., Mar 2 2018, In : ACS Catalysis. 8, 3, p. 1728-1733 6 p.

    Research output: Contribution to journalArticle