| 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 |
0.495 |
|
| 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 |
0.49 |
|
| 2014 |
Layfield JP, Hammes-Schiffer S. Hydrogen tunneling in enzymes and biomimetic models. Chemical Reviews. 114: 3466-94. PMID 24359189 DOI: 10.1021/Cr400400P |
0.477 |
|
| 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 |
0.491 |
|
| 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 |
0.549 |
|
| 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 |
0.522 |
|
| 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 |
0.669 |
|
| 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 |
0.573 |
|
| 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 |
0.649 |
|
| 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. |
0.609 |
|
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