C. Margulis

发表

Dewetting-induced collapse of hydrophobic particles

B. Berne, X. Huang, C. Margulis, 2003, Proceedings of the National Academy of Sciences of the United States of America.

A Rigid Hinge Region Is Necessary for High-Affinity Binding of Dimannose to Cyanovirin and Associated Constructs.

C. Margulis, S. Ozkan, A. Bobkov, 2015, Biochemistry.

The role of Glu41 in the binding of dimannose to P51G-m4-CVN.

Sai Kumar Ramadugu, C. Margulis, Zhen Li, 2014, Biochemistry.

Structure of cyano-anion ionic liquids: X-ray scattering and simulations.

Kamal B. Dhungana, C. Margulis, E. Castner, 2016, The Journal of chemical physics.

How is charge transport different in ionic liquids and electrolyte solutions?

C. Margulis, Hemant K. Kashyap, F. Raineri, 2011, Journal of Physical Chemistry B.

Computer simulation of a green chemistry room-temperature ionic solvent

B. Berne, C. Margulis, H. Stern, 2002 .

When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides.

Sai Kumar Ramadugu, C. Margulis, J. Xia, 2009, The journal of physical chemistry. B.

Communication: Nanoscale structure of tetradecyltrihexylphosphonium based ionic liquids.

C. Margulis, J. Araque, Hemant K. Kashyap, 2016, The Journal of chemical physics.

Symmetry breaking of the triiodide ion in acetonitrile solution

C. Margulis, D. Coker, R. Lynden-Bell, 2001 .

Ionic liquids: structure and photochemical reactions.

C. Margulis, M. Maroncelli, E. Castner, 2011, Annual review of physical chemistry.

How does the ionic liquid organizational landscape change when nonpolar cationic alkyl groups are replaced by polar isoelectronic diethers?

C. Margulis, E. Castner, N. Murthy, 2013, The journal of physical chemistry. B.

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides.

Ryan S. DeFever, C. Margulis, E. Maginn, 2020, The Journal of chemical physics.

Vacuum Interfacial Structure and X-ray Reflectivity of Imidazolium-Based Ionic Liquids with Perfluorinated Anions from a Theory and Simulations Perspective

C. Margulis, E. Castner, Waruni V. Karunaratne, 2022, The journal of physical chemistry. C, Nanomaterials and interfaces.

In an ionic liquid, high local friction is determined by the proximity to the charge network.

C. Margulis, J. Araque, 2018, The Journal of chemical physics.

Why is the partial molar volume of CO2 so small when dissolved in a room temperature ionic liquid? Structure and dynamics of CO2 dissolved in [Bmim+] [PF6(-)].

B. Berne, Xuhui Huang, C. Margulis, 2005, Journal of the American Chemical Society.

Diffusion and residence time of hydrogen peroxide and water in crowded protein environments.

C. Margulis, J. Xia, Ying-Hua Chung, 2007, The journal of physical chemistry. B.

Room-temperature ionic liquids: slow dynamics, viscosity, and the red edge effect.

C. Margulis, Zhonghan Hu, 2007, Accounts of chemical research.

SAXS anti-peaks reveal the length-scales of dual positive-negative and polar-apolar ordering in room-temperature ionic liquids.

C. Margulis, Hemant K. Kashyap, Harsha. V. R. Annapureddy, 2012, Chemical communications.

Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamide.

Xuhui Huang, C. Margulis, Zhonghan Hu, 2008, The journal of physical chemistry. B.

A link between structure, diffusion and rotations of hydrogen bonding tracers in ionic liquids.

C. Margulis, J. Araque, Ryan P Daly, 2016, The Journal of chemical physics.

What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids?

C. Margulis, Pablo M. De Biase, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Ionic Liquid Mixture at the Vacuum Interface and the Peaks and Antipeaks Analysis of X-ray Reflectivity

C. Margulis, Fei Wu, Waruni V. Karunaratne, 2019, The Journal of Physical Chemistry C.

How does water affect the dynamics of the room-temperature ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate and the fluorescence spectroscopy of Coumarin-153 when dissolved in it?

C. Margulis, J. Xia, Zhonghan Hu, 2008, The journal of physical chemistry. B.

Excess Electron and Hole in 1-Benzylpyridinium-Based Ionic Liquids.

Kamal B. Dhungana, C. Margulis, Fei Wu, 2017, The journal of physical chemistry. B.

Solvation of an excess electron in pyrrolidinium dicyanamide based ionic liquids.

C. Margulis, Changhui Xu, 2015, The journal of physical chemistry. B.

Dynamics of excess electronic charge in aliphatic ionic liquids containing the bis(trifluoromethylsulfonyl)amide anion.

Aleksander E. P. Durumeric, C. Margulis, Changhui Xu, 2013, Journal of the American Chemical Society.

Dry excess electrons in room-temperature ionic liquids.

C. Margulis, D. Coker, M. D. Del Pópolo, 2011, Journal of the American Chemical Society.

A Brief Guide to the Structure of High-Temperature Molten Salts and Key Aspects Making Them Different from Their Low-Temperature Relatives, the Ionic Liquids

C. Margulis, Shobha Sharma, A. S. Ivanov, 2021, The journal of physical chemistry. B.

Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics.

C. Margulis, Shobha Sharma, S. Mahurin, 2021, The journal of physical chemistry. B.

X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium†

C. Margulis, Shobha Sharma, S. Mahurin, 2021, Chemical science.

Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and its Mixture with KCl.

C. Margulis, Shobha Sharma, S. Dai, 2020, The journal of physical chemistry. B.

Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCl Mixtures.

C. Margulis, S. Dai, S. Mahurin, 2019, The journal of physical chemistry letters.

Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions.

C. Margulis, E. Castner, J. Wishart, 2019, The Journal of chemical physics.

Modern Room Temperature Ionic Liquids, a Simple Guide to Understanding Their Structure and How It May Relate to Dynamics.

C. Margulis, J. Araque, J. Hettige, 2015, The journal of physical chemistry. B.

Bicontinuity and multiple length scale ordering in triphilic hydrogen-bonding ionic liquids.

C. Margulis, J. Araque, J. Hettige, 2014, The journal of physical chemistry. B.

Dynamics of Water Adsorption onto a Calcite Surface as a Function of Relative Humidity

C. Margulis, Claudio J. Margulis, Asif Rahaman, 2008 .

Structures of Ionic Liquids Having Both Anionic and Cationic Octyl Tails: Lamellar Vacuum Interface vs Sponge-Like Bulk Order.

C. Margulis, E. Castner, J. Hettige, 2016, The journal of physical chemistry letters.

Temperature-dependent structure of ionic liquids: X-ray scattering and simulations.

C. Margulis, E. Castner, N. Murthy, 2012, Faraday discussions.

Structure and Dynamics of an Ionic Liquid Mixture Film Confined by Mica

C. Margulis, Waruni V. Karunaratne, 2019, The Journal of Physical Chemistry C.

Measuring the magnitude of internal motion in a complex hexasaccharide.

C. Margulis, C. Bush, J. Xia, 2011, Biopolymers.

A Monte Carlo study of symmetry breaking of I3− in aqueous solution using a multistate diabatic Hamiltonian

C. Margulis, D. Coker, R. Lynden-Bell, 2001 .

Ultrafast nonadiabatic dynamics: quasiclassical calculation of the transient photoelectron spectrum of I2(-).(CO2)8.

C. Margulis, D. Coker, N. Yu, 2004, The Journal of chemical physics.

In silico prediction of the 3D structure of trimeric asialoglycoprotein receptor bound to triantennary oligosaccharide.

Sai Kumar Ramadugu, C. Margulis, K. Rice, 2010, Journal of the American Chemical Society.

Rotational Dynamics in Ionic Liquids from NMR Relaxation Experiments and Simulations: Benzene and 1-Ethyl-3-Methylimidazolium.

C. Margulis, M. Maroncelli, G. Baker, 2016, The journal of physical chemistry. B.

Helix unfolding and intramolecular hydrogen bond dynamics in small α-helices in explicit solvent

B. Berne, C. Margulis, H. Stern, 2002 .

Ionic aggregates in steam. Part 1.—Equilibrium configurations

C. Margulis, D. Laria, R. Fernández-Prini, 1996 .

Ionic liquids-Conventional solvent mixtures, structurally different but dynamically similar.

C. Margulis, J. Araque, J. Hettige, 2015, The Journal of chemical physics.

Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl)amide: X ray scattering and simulations.

C. Margulis, E. Castner, N. Murthy, 2011, The Journal of chemical physics.

Heterogeneity in a room-temperature ionic liquid: persistent local environments and the red-edge effect.

C. Margulis, Zhonghan Hu, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Modeling solvation of excited electronic states of flexible polyatomic molecules: Diatomics-in-molecules for I3 in argon clusters

C. Margulis, D. Coker, 2001 .

Applying diatomic in molecules in excited electronic state calculations for flexible polyatomic molecules. The I3 molecule

C. Margulis, D. Coker, 2000 .

Anions, the Reporters of Structure in Ionic Liquids.

C. Margulis, Hemant K. Kashyap, Harsha. V. R. Annapureddy, 2013, The journal of physical chemistry letters.

The SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase.

C. Margulis, Shobha Sharma, E. Maginn, 2020, The journal of physical chemistry. A.

Computational study of imidazolium-based ionic solvents with alkyl substituents of different lengths

C. Margulis, 2004 .

Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective.

C. Margulis, Shobha Sharma, S. Dai, 2020, Physical chemistry chemical physics : PCCP.

Conformational Dynamics of Sialyl Lewisx in Aqueous Solution and Its Interaction with SelectinE. A Study by Molecular Dynamics

C. Margulis, K. Veluraja, 2005, Journal of biomolecular structure & dynamics.

Comparison of the Structural Response to Pressure of Ionic Liquids with Ether and Alkyl Functionalities.

Kamal B. Dhungana, C. Margulis, 2017, The journal of physical chemistry. B.

Ether Tails Make a Large Difference for the Structural Dynamics of Imidazolium-based Ionic Liquids

C. Margulis, J. Araque, Weththasinghage D Amith, 2021, Journal of Ionic Liquids.

Ionic Liquids with Symmetric Diether Tails: Bulk and Vacuum-Liquid Interfacial Structures.

C. Margulis, E. Castner, J. Hettige, 2017, The journal of physical chemistry. B.

How Is Diffusion of Neutral and Charged Tracers Related to the Structure and Dynamics of a Room-Temperature Ionic Liquid? Large Deviations from Stokes-Einstein Behavior Explained.

C. Margulis, M. Maroncelli, J. Araque, 2015, The journal of physical chemistry. B.

A Pictorial View of Viscosity in Ionic Liquids and the Link to Nanostructural Heterogeneity.

C. Margulis, J. Araque, Weththasinghage D Amith, 2020, The journal of physical chemistry letters.

Communication: Stiff and soft nano-environments and the "Octopus Effect" are the crux of ionic liquid structural and dynamical heterogeneity.

C. Margulis, J. Araque, Ryan P Daly, 2017, The Journal of chemical physics.

Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups.

C. Margulis, E. Castner, N. Murthy, 2013, The journal of physical chemistry. B.

Dynamics of an excess hole in the 1-methyl-1-butyl-pyrrolidinium dicyanamide ionic-liquid.

C. Margulis, Changhui Xu, Fei Wu, 2018, The Journal of chemical physics.

A tool for the prediction of structures of complex sugars

Junchao Xia, C. Margulis, J. Xia, 2008, Journal of biomolecular NMR.

Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids.

C. Margulis, Hemant K. Kashyap, J. Hettige, 2014, The Journal of chemical physics.

Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity

C. Margulis, Shobha Sharma, S. Dai, 2022, Journal of the American Chemical Society.

Hydrophobic Collapse in Multidomain Protein Folding

Ruhong Zhou, Xuhui Huang, Bruce J. Berne, 2004, Science.

Solvation effects on equilibria: Triazoles and N-methyl piperidinol

C. Margulis, S. Murdock, R. Lynden-Bell, 2002 .

Controlling the outcome of electron transfer reactions in ionic liquids.

C. Margulis, Harsha. V. R. Annapureddy, 2009, The journal of physical chemistry. B.

Structure of Molten Alkali Chlorides at Charged Interfaces and the Prediction and Interpretation of Their X-ray Reflectivity

C. Margulis, B. Ocko, Shobha Sharma, 2021, The Journal of Physical Chemistry C.

(Keynote) Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids

C. Margulis, Hemant K. Kashyap, 2013 .

Structure of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide ionic liquids with linear, branched, and cyclic alkyl groups.

C. Margulis, E. Castner, N. Murthy, 2013, Journal of Physical Chemistry B.

Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl3.

C. Margulis, D. Maltsev, Phillip W. Halstenberg, 2024, The journal of physical chemistry. B.

What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids?

C. Margulis, Pablo M. De Biase, Hemant K. Kashyap, 2010, The journal of physical chemistry. B.

Searching and optimizing structure ensembles for complex flexible sugars.

D. Case, C. Margulis, J. Xia, 2011, Journal of the American Chemical Society.