Publications by authors named "Sherwin J Singer"

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Bound Charge Layering Near a Spherical Ion: Moving Beyond Born Theory.
Min-Sang Lee, Sherwin J Singer

J Phys Chem B· December 2024

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A New Approach for Estimating the Free Energy Differences among Multiple Thermodynamic States in Statistical Simulations.
Jaehoon Yang, Sherwin J Singer

J Phys Chem Lett· June 2023

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A theoretical study of polymorphism in VQIVYK fibrils.
Jaehoon Yang, Mithila V Agnihotri, Carol J Huseby, Jeff Kuret, Sherwin J Singer

Biophys J· April 2021

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Dielectric Behavior near a Spherical Ion.
Min-Sang Lee, Sherwin J Singer

J Phys Chem B· March 2021

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Mechanism of surface freezing of alkanes.
Viraj P Modak, Barbara E Wyslouzil, Sherwin J Singer

J Chem Phys· December 2020

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Molecular Dynamics Study of the Electric Double Layer and Nonlinear Spectroscopy at the Amorphous Silica-Water Interface.
Si-Han Chen, Sherwin J Singer

J Phys Chem B· July 2019

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Biomolecules at the amorphous silica/water interface: Binding and fluorescence anisotropy of peptides.
Bobo Shi, Yun Kyung Shin, Ali A Hassanali, Sherwin J Singer

Colloids Surf B Biointerfaces· September 2017

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On the determination of the crystal-vapor surface free energy, and why a Gaussian expression can be accurate for a system far from Gaussian.
Viraj P Modak, Barbara E Wyslouzil, Sherwin J Singer

J Chem Phys· August 2016

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Polarization charge: Theory and applications to aqueous interfaces.
Bobo Shi, Mithila V Agnihotri, Si-Han Chen, Richie Black, Sherwin J Singer

J Chem Phys· April 2016

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DNA Binding to the Silica Surface.
Bobo Shi, Yun Kyung Shin, Ali A Hassanali, Sherwin J Singer

J Phys Chem B· August 2015

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Displacements, mean-squared displacements, and codisplacements for the calculation of nonequilibrium properties.
Mithila V Agnihotri, Si-Han Chen, Corey Beck, Sherwin J Singer

J Phys Chem B· July 2014

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Experimental evidence for surface freezing in supercooled n-alkane nanodroplets.
Viraj P Modak, Harshad Pathak, Mitchell Thayer, Sherwin J Singer, Barbara E Wyslouzil

Phys Chem Chem Phys· May 2013

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Analysis of the subcritical carbon dioxide-water interface.
Hui Zhang, Sherwin J Singer

J Phys Chem A· June 2011

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An AIMD study of CPD repair mechanism in water: role of solvent in ring splitting.
Ali A Hassanali, Dongping Zhong, Sherwin J Singer

J Phys Chem B· April 2011

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An AIMD study of the CPD repair mechanism in water: reaction free energy surface and mechanistic implications.
Ali A Hassanali, Dongping Zhong, Sherwin J Singer

J Phys Chem B· April 2011

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The water-amorphous silica interface: analysis of the Stern layer and surface conduction.
Hui Zhang, Ali A Hassanali, Yun Kyung Shin, Chris Knight, Sherwin J Singer

J Chem Phys· January 2011

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The Dissociated Amorphous Silica Surface: Model Development and Evaluation.
Ali A Hassanali, Hui Zhang, Chris Knight, Yun Kyung Shin, Sherwin J Singer

J Chem Theory Comput· November 2010

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Site disorder in ice VII arising from hydrogen bond fluctuations.
Chris Knight, Sherwin J Singer

J Phys Chem A· November 2009

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Origin of slow relaxation following photoexcitation of W7 in myoglobin and the dynamics of its hydration layer.
Tanping Li, Ali A Hassanali, Sherwin J Singer

J Phys Chem B· December 2008

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Hydrogen bond ordering in ice V and the transition to ice XIII.
Chris Knight, Sherwin J Singer

J Chem Phys· October 2008

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Model for the water-amorphous silica interface: the undissociated surface.
Ali A Hassanali, Sherwin J Singer

J Phys Chem B· September 2007

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Hydration dynamics and time scales of coupled water-protein fluctuations.
Tanping Li, Ali A Hassanali, Ya-Ting Kao, Dongping Zhong, Sherwin J Singer

J Am Chem Soc· March 2007

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A reexamination of the ice III/IX hydrogen bond ordering phase transition.
Chris Knight, Sherwin J Singer

J Chem Phys· August 2006

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Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions.
Chris Knight, Sherwin J Singer, Jer-Lai Kuo, Tomas K Hirsch, Lars Ojamäe

Phys Rev E Stat Nonlin Soft Matter Phys· May 2006

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Prediction of a phase transition to a hydrogen bond ordered form of ice VI.
Chris Knight, Sherwin J Singer

J Phys Chem B· November 2005

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