All Faculty and Research Staff Publications

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2014
Carr JK, Zabuga AV, Roy S, Rizzo TR, Skinner JL. Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations. Journal of Chemical Physics. 2014 ;140.
Shi L, Ni Y, Drews SEP, Skinner JL. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model. Journal of Chemical Physics. 2014 ;141.
Shi L, Li F, Skinner JL. Resonant vibrational energy transfer in ice Ih. Journal of Chemical Physics. 2014 ;140.
Kann ZR, Skinner JL. A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions AU Kann, ZR Skinner, JL. Journal of Chemical Physics. 2014 ;141.
Buchanan LE, Carr JK, Fluitt AM, Hoganson AJ, Moran SD, de Pablo JJ, Skinner JL, Zanni MT. Structural motif of polyglutamine amyloid fibrils discerned with mixed-isotope infrared spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 2014 ;111:5796-5801.
Tainter CJ, Shi L, Skinner JL. Structure and OH-stretch spectroscopy of low- and high-density amorphous ices. Journal of Chemical Physics. 2014 ;140.
Roy S, Gruenbaum SM, Skinner JL. Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces. Journal of Chemical Physics. 2014 ;141:8.
Roy S, Gruenbaum SM, Skinner JL. Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces. II. Two-dimensional spectra. Journal of Chemical Physics. 2014 ;141.
Ni YC, Skinner JL. Ultrafast pump-probe and 2DIR anisotropy and temperature-dependent dynamics of liquid water within the E3B model. Journal of Chemical Physics. 2014 ;141.
2013
Bakulin AA, Cringus D, Pieniazek PA, Skinner JL, Jansen TLC, Pshenichnikov MS. Dynamics of Water Confined in Reversed Micelles: Multidimensional Vibrational Spectroscopy Study. Journal of Physical Chemistry B. 2013 ;117:15545-15558.
Shi L, Skinner JL. Proton Disorder in Ice Ih and Inhomogeneous Broadening in Two-Dimensional Infrared Spectroscopy. Journal of Physical Chemistry B. 2013 ;117:15536-15544.
Gruenbaum SM, Tainter CJ, Shi L, Ni Y, Skinner JL. Robustness of Frequency, Transition Dipole, and Coupling Maps for Water Vibrational Spectroscopy. Journal of Chemical Theory and Computation. 2013 ;9:3109-3117.
Ni YC, Gruenbaum SM, Skinner JL. Slow hydrogen-bond switching dynamics at the water surface revealed by theoretical two-dimensional sum-frequency spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 2013 ;110:1992-1998.
Carr JK, Buchanan LE, Schmidt JR, Zanni MT, Skinner JL. Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation. Journal of Physical Chemistry B. 2013 ;117:13291-13300.
Wang L, Buchanan LE, Dunkelberger EB, de Pablo JJ, Zanni MT, Skinner JL. Ultrafast infrared spectroscopy of amylin solution and fibrils. Ultrafast Infrared Vib. Spectrosc. 2013 :437-459.
Gruenbaum SM, Skinner JL. Vibrational spectroscopy of water in hydrated lipid multi-bilayers. III. Water clustering and vibrational energy transfer. Journal of Chemical Physics. 2013 ;139.
2011
Wang L, Middleton CT, Singh S, Reddy AS, Woys AM, Strasfeld DB, Marek P, Raleigh DP, De Pablo JJ, Zanni MT, et al. 2DIR Spectroscopy of Human Amylin Fibrils Reflects Stable beta-Sheet Structure. Journal of the American Chemical Society. 2011 ;133:16062-16071.
Nicodemus RA, Corcelli SA, Skinner JL, Tokmakoff A. Collective Hydrogen Bond Reorganization in Water Studied with Temperature-Dependent Ultrafast Infrared Spectroscopy. Journal of Physical Chemistry B. 2011 ;115:5604-5616.
Wang L, Middleton CT, Zanni MT, Skinner JL. Development and Validation of Transferable Amide I Vibrational Frequency Maps for Peptides. Journal of Physical Chemistry B. 2011 ;115:3713-3724.
Stiopkin IV, Weeraman C, Pieniazek PA, Shalhout FY, Skinner JL, Benderskii AV. Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopy. Nature. 2011 ;474:192-195.
Li F, Skinner JL. Infrared and Raman line shapes for ice Ih. II. H2O and D2O (vol 133, 244504, 2010). Journal of Chemical Physics. 2011 ;134.
Pieniazek PA, Tainter CJ, Skinner JL. Interpretation of the water surface vibrational sum-frequency spectrum. Journal of Chemical Physics. 2011 ;135.
O'Bryan G, Yang EL, Zifer T, Wally K, Skinner JL, Vance AL. Nanotube surface functionalization effects in blended multiwalled carbon nanotube/PVDF composites. Journal of Applied Polymer Science. 2011 ;120:1379-1384.
Tainter CJ, Pieniazek PA, Lin YS, Skinner JL. Robust three-body water simulation model. Journal of Chemical Physics. 2011 ;134.
Pieniazek PA, Tainter CJ, Skinner JL. Surface of Liquid Water: Three-Body Interactions and Vibrational Sum-Frequency Spectroscopy. Journal of the American Chemical Society. 2011 ;133:10360-10363.
Yang M, Skinner JL. Time-averaging approximation in the interaction picture: Absorption line shapes for coupled chromophores with application to liquid water. Journal of Chemical Physics. 2011 ;135:154114/1-154114/6.
Skinner JL. Vibrational energy relaxation of small molecules and ions in liquids. Theoretical Chemistry Accounts. 2011 ;128:147-155.
Yang M, Li F, Skinner JL. Vibrational energy transfer and anisotropy decay in liquid water: Is the Forster model valid?. Journal of Chemical Physics. 2011 ;135.
Gruenbaum SM, Skinner JL. Vibrational spectroscopy of water in hydrated lipid multi-bilayers. I. Infrared spectra and ultrafast pump-probe observables. Journal of Chemical Physics. 2011 ;135.
Gruenbaum SM, Pieniazek PA, Skinner JL. Vibrational spectroscopy of water in hydrated lipid multi-bilayers. II. Two-dimensional infrared and peak shift observables within different theoretical approximations. Journal of Chemical Physics. 2011 ;135.

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