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Joshua P. Layfield

Affiliations: 
Chemistry  University of St. Thomas, Saint Paul, MN, United States 
Area:
Computational Chemistry, Reaction Dynamics, Surface Science
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"Joshua Layfield"
Bio:

http://scholar.lib.vt.edu/theses/available/etd-01312011-113547/

Mean distance: 9.46
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Parents

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Diego Troya grad student 2011 Virginia Tech
 (Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces)
Sharon Hammes-Schiffer post-doc 2012-2014 UIUC

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Publications

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Xu RJ, Błasiak B, Cho M, et al. (2018) A Direct, Quantitative Connection Between Molecular Dynamics Simulations and Vibrational Probe Lineshapes. The Journal of Physical Chemistry Letters
Fortenberry RC, Novak CM, Layfield JP, et al. (2018) Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-CH. Journal of Chemical Theory and Computation
Liu CT, Francis K, Layfield JP, et al. (2014) Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: temporal order and the roles of Asp27 and Tyr100. Proceedings of the National Academy of Sciences of the United States of America. 111: 18231-6
Liu CT, Layfield JP, Stewart RJ, et al. (2014) Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. Journal of the American Chemical Society. 136: 10349-60
Layfield JP, Hammes-Schiffer S. (2014) Hydrogen tunneling in enzymes and biomimetic models. Chemical Reviews. 114: 3466-94
Layfield JP, Hammes-Schiffer S. (2013) Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding. Journal of the American Chemical Society. 135: 717-25
Layfield JP, Troya D. (2011) Molecular simulations of the structure and dynamics of water confined between alkanethiol self-assembled monolayer plates. The Journal of Physical Chemistry. B. 115: 4662-70
Layfield JP, Troya D. (2011) Molecular Simulations of the Structure and Dynamics of Water Confined between Alkanethiol Self-Assembled Monolayer Plates Journal of Physical Chemistry B. 115: 4662-4670
Layfield JP, Troya D. (2010) Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions. The Journal of Chemical Physics. 132: 134307
Layfield JP, Troya D. (2010) Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions Journal of Chemical Physics. 132
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