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Joshua P. Layfield - Publications

Affiliations: 
Chemistry  University of St. Thomas, Saint Paul, MN, United States 
Area:
Computational Chemistry, Reaction Dynamics, Surface Science
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16/17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Xu RJ, Błasiak B, Cho M, Layfield JP, Londergan CH. A Direct, Quantitative Connection Between Molecular Dynamics Simulations and Vibrational Probe Lineshapes. The Journal of Physical Chemistry Letters. PMID 29697984 DOI: 10.1021/Acs.Jpclett.8B00969  0.34
2018 Fortenberry RC, Novak CM, Layfield JP, Matito E, Lee TJ. 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. PMID 29522337 DOI: 10.1021/Acs.Jctc.8B00164  0.304
2014 Liu CT, Francis K, Layfield JP, Huang X, Hammes-Schiffer S, Kohen A, Benkovic SJ. 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. PMID 25453098 DOI: 10.1073/Pnas.1415940111  0.497
2014 Liu CT, Layfield JP, Stewart RJ, French JB, Hanoian P, Asbury JB, Hammes-Schiffer S, Benkovic SJ. 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. PMID 24977791 DOI: 10.1021/Ja5038947  0.492
2014 Layfield JP, Hammes-Schiffer S. Hydrogen tunneling in enzymes and biomimetic models. Chemical Reviews. 114: 3466-94. PMID 24359189 DOI: 10.1021/Cr400400P  0.479
2013 Layfield JP, Hammes-Schiffer S. 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. PMID 23210919 DOI: 10.1021/Ja3084384  0.492
2011 Layfield JP, Troya D. 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. PMID 21466175 DOI: 10.1021/Jp1120178  0.55
2011 Layfield JP, Troya D. Molecular Simulations of the Structure and Dynamics of Water Confined between Alkanethiol Self-Assembled Monolayer Plates Journal of Physical Chemistry B. 115: 4662-4670. DOI: 10.1021/jp1120178  0.523
2010 Layfield JP, Troya D. Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions. The Journal of Chemical Physics. 132: 134307. PMID 20387933 DOI: 10.1063/1.3364858  0.645
2010 Layfield JP, Troya D. Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions Journal of Chemical Physics. 132. DOI: 10.1063/1.3364858  0.576
2009 Layfield JP, Sweeney AF, Troya D. Direct-dynamics study of the F + CH4, C2H6, C3H8, and i-C4H10 reactions. The Journal of Physical Chemistry. A. 113: 4294-304. PMID 19296632 DOI: 10.1021/Jp810929E  0.67
2009 Layfield JP, Sweeney AF, Troya D. Dynamics study of the F + CH4,C2H6,C3H8, and i-C4H10 reactions Journal of Physical Chemistry A. 113: 4294-4304. DOI: 10.1021/jp810929e  0.574
2009 Layfield JP, Troya D. Theoretical study of the dynamics of H + alkane reactions Chemical Physics Letters. 467: 243-248. DOI: 10.1016/J.Cplett.2008.11.047  0.65
2008 Layfield JP, Owens MD, Troya D. Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian. The Journal of Chemical Physics. 128: 194302. PMID 18500860 DOI: 10.1063/1.2918358  0.66
2008 Layfield JP, Owens MD, Troya D. Theoretical study of the dynamics of the H+C H4 and H+ C2 H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian Journal of Chemical Physics. 128. DOI: 10.1063/1.2918358  0.594
2008 Layfield JP, Troya D. Theoretical study of the H+CH4 and H+C2H6 reactions Acs National Meeting Book of Abstracts.  0.61
Low-probability matches (unlikely to be authored by this person)
2017 Fortenberry RC, Lee TJ, Layfield JP. Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends. The Journal of Chemical Physics. 147: 221101. PMID 29246071 DOI: 10.1063/1.5013026  0.24
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