Revati Kumar

发表

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

Daniel P. Abraham, Gregory A. Voth, D. Abraham, 2013 .

Erratum: “A second generation distributed point polarizable water model” [J. Chem. Phys.132, 014309 (2010)]

K. Jordan, Revati Kumar, Fangfang Wang, 2010 .

A second generation distributed point polarizable water model.

Kenneth D Jordan, Fang-Fang Wang, K. Jordan, 2010, The Journal of chemical physics.

Bringing Reactivity to the Aggregation-Volume-Bias Monte Carlo Based Simulation Framework: Water Nucleation Induced by a Reactive Proton.

Christopher Knight, C. Wick, Revati Kumar, 2015, The journal of physical chemistry. B.

Role of excited state solvent fluctuations on time-dependent fluorescence Stokes shift.

Revati Kumar, Tanping Li, 2015, The Journal of chemical physics.

Ion Pairing in HCl-Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field Development.

Revati Kumar, A. Milet, Caitlin G. Bresnahan, 2019, The journal of physical chemistry. A.

Towards a coarse-grained model of the peptoid backbone: the case of N,N-dimethylacetamide.

S. Rick, Revati Kumar, Pu Du, 2018, Physical chemistry chemical physics : PCCP.

Propensity of Hydrated Excess Protons and Hydroxide Anions for the Air-Water Interface.

G. Voth, Revati Kumar, Y. S. Tse, 2015, Journal of the American Chemical Society.

Enantioselective Functionalization of Enamides at the β-Carbon Center with Indoles.

Revati Kumar, F. Fronczek, Rendy Kartika, 2018, Angewandte Chemie.

Imidazolium-Type Anion Exchange Membranes for Improved Organic Acid Transport and Permselectivity in Electrodialysis

Tanmay Kulkarni, Yupo J. Lin, Revati Kumar, 2022, Journal of The Electrochemical Society.

Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations

S. Rick, Donghui Zhang, Revati Kumar, 2022, Macromolecules.

Non-linear infrared spectroscopy of the water bending mode: direct experimental evidence of hydration shell reorganization?

D. Kuroda, Revati Kumar, Lev Chuntonov, 2014, Physical chemistry chemical physics : PCCP.

Influence of Sulfur on Acid-Mediated Enamide Formation.

Revati Kumar, Carol M. Taylor, J. A. Lutz, 2017, Organic letters.

A Visible-Light-Promoted O-Glycosylation with a Thioglycoside Donor.

Revati Kumar, Justin R. Ragains, Mark L Spell, 2016, Angewandte Chemie.

Siloxide Podand Ligand as a Scaffold for Molybdenum-Catalyzed Alkyne Metathesis and Isolation of a Dynamic Metallatetrahedrane Intermediate

Revati Kumar, O. Gutierrez, Richard R. Thompson, 2019, Organometallics.

A Tumor Targeting NIRF NanoGUMBOS with Cyclodextrin Enhanced Chemo/Photothermal Antitumor Activities.

J. Mathis, I. Warner, Revati Kumar, 2019, ACS applied materials & interfaces.

Molecular Adsorption and Transport at Liposome Surfaces Studied by Molecular Dynamics Simulations and Second Harmonic Generation Spectroscopy.

Revati Kumar, L. H. Haber, R. McCarley, 2019, The journal of physical chemistry. B.

Hydration and vibrational dynamics of betaine (N,N,N-trimethylglycine).

Tanping Li, D. Kuroda, Revati Kumar, 2015, The Journal of chemical physics.

Understanding the ionic activity and conductivity value differences between random copolymer electrolytes and block copolymer electrolytes of the same chemistry

Qingteng Zhang, Revati Kumar, C. Arges, 2021, RSC advances.

Counterion condensation or lack of solvation? Understanding the activity of ions in thin film block copolymer electrolytes

Qingteng Zhang, J. Lawrence, Revati Kumar, 2020 .

Influence of Temperature on Molecular Adsorption and Transport at Liposome Surfaces Studied by Molecular Dynamics Simulations and Second Harmonic Generation Spectroscopy

Revati Kumar, L. H. Haber, R. McCarley, 2021, The journal of physical chemistry. B.

Acetate ion and its interesting solvation shell structure and dynamics

Xiaoliu Zhang, D. Kuroda, Revati Kumar, 2018 .

Aggregation of cyclic polypeptoids bearing zwitterionic end-groups with attractive dipole-dipole and solvophobic interactions: a study by small-angle neutron scattering and molecular dynamics simulation.

S. Rick, V. John, Ang Li, 2017, Physical chemistry chemical physics : PCCP.

Coarse-Grained Models of Aqueous and Pure Liquid Alkanes.

S. Rick, Revati Kumar, Gaurav Gyawali, 2017, Journal of chemical theory and computation.

A distributed point polarizable force field for carbon dioxide

K. Jordan, Revati Kumar, Fangfang Wang, 2012, Theoretical Chemistry Accounts.

Solvation Structure and Concentration in Glyme-Based Sodium Electrolytes: A Combined Spectroscopic and Computational Study

D. Kuroda, R. Jorn, Revati Kumar, 2016 .

Ionic conductivity and counterion condensation in nanoconfined polycation and polyanion brushes prepared from block copolymer templates

Julie N. L. Albert, P. Nealey, Revati Kumar, 2019, Molecular Systems Design & Engineering.

Mechanism behind the Unusually High Conductivities of High Concentrated Sodium Ion Glyme-Based Electrolytes

D. Kuroda, R. Jorn, Revati Kumar, 2018, The Journal of Physical Chemistry C.

A Computationally Efficient Treatment of Polarizable Electrochemical Cells Held at a Constant Potential

Matt K. Petersen, G. Voth, Revati Kumar, 2012 .

Predicting Ion Association in Sodium Electrolytes: A Transferrable Model for Investigating Glymes

T. Weldeghiorghis, D. Kuroda, R. Jorn, 2017 .

Effect of Oxidation Level on the Interfacial Water at the Graphene Oxide–Water Interface: From Spectroscopic Signatures to Hydrogen-Bonding Environment

Revati Kumar, C. Arges, Le Zhang, 2020, The journal of physical chemistry. B.

Classical simulations with the POLIR potential describe the vibrational spectroscopy and energetics of hydration: divalent cations, from solvation to coordination complex.

T. Keyes, Revati Kumar, Revati Kumar, 2011, Journal of the American Chemical Society.

Proton transport under external applied voltage.

G. Voth, Zhen Cao, Revati Kumar, 2014, The journal of physical chemistry. B.

The polarizing forces of water

T. Keyes, Revati Kumar, 2012, Theoretical Chemistry Accounts.

Integrated Ion-Exchange Membrane Resin Wafer Assemblies for Aromatic Organic Acid Separations Using Electrodeionization

Yupo J. Lin, Revati Kumar, C. Arges, 2023, ACS Sustainable Chemistry & Engineering.

Introductory Roadmap to Current Reactive Force-Field Methodologies

Revati Kumar, G. Jenness, Caitlin G. Bresnahan, 2021, Practical Aspects of Computational Chemistry V.

Hydrated Proton Structure and Diffusion at Platinum Surfaces

G. Voth, Zhen Cao, Revati Kumar, 2015 .

Effect of chemical structure of S-nitrosothiols on nitric oxide release mediated by the copper sites of a metal organic framework based environment.

Revati Kumar, Tanping Li, Kiara Taylor-Edinbyrd, 2017, Physical chemistry chemical physics : PCCP.

Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water.

S. Rick, Revati Kumar, Marielle Soniat, 2015, The Journal of chemical physics.

Determining Ion Activity Coefficients in Ion-Exchange Membranes with Machine Learning and Molecular Dynamics Simulations

J. Romagnoli, Teslim Olayiwola, Revati Kumar, 2023, Industrial & Engineering Chemistry Research.

Adsorption Studies at the Graphene Oxide–Liquid Interface: A Molecular Dynamics Study

Revati Kumar, R. David, Visal Subasinghege Don, 2023, The journal of physical chemistry. C, Nanomaterials and interfaces.

Interfacial Water at Graphene Oxide Surface: Ordered or Disordered?

Revati Kumar, A. Milet, R. David, 2019, The journal of physical chemistry. B.

Coarse-Grained Models for Constant pH Simulations of Carboxylic Acids.

S. Rick, Revati Kumar, Arjun Sharma, 2019, Journal of chemical theory and computation.

A computational study of the effect of the metal organic framework environment on the release of chemically stored nitric oxide.

Revati Kumar, Tanping Li, Kiara Taylor-Edinbyrd, 2015, Physical chemistry chemical physics : PCCP.

Hydrogen bonding definitions and dynamics in liquid water.

J. Skinner, Revati Kumar, J. R. Schmidt, 2007, The Journal of chemical physics.

A Visible-Light-Promoted O-Glycosylation with a Thioglycoside Donor.

Revati Kumar, Caitlin G. Bresnahan, Justin R. Ragains, 2016, Angewandte Chemie.

The relation between the structure of the first solvation shell and the IR spectra of aqueous solutions

T. Keyes, Revati Kumar, 2011, Journal of Biological Physics.

Exploring the behaviour of the hydrated excess proton at hydrophobic interfaces.

G. Voth, Christopher Knight, Revati Kumar, 2013, Faraday discussions.

Imidazolium-type anion exchange membranes for improved organic acid transport and permselectivity in electrodialysis

Tanmay Kulkarni, Yupo J. Lin, Revati Kumar, 2022, Journal of the Electrochemical Society.

Water simulation model with explicit three-molecule interactions.

J. Skinner, Revati Kumar, R. Kumar, 2008, The journal of physical chemistry. B.

Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl Cations.

Revati Kumar, Rendy Kartika, A. Milet, 2019, The Journal of organic chemistry.

Probing the Electrode–Electrolyte Interface of Sodium/Glyme-Based Battery Electrolytes

D. Kuroda, R. Jorn, Revati Kumar, 2024, The journal of physical chemistry. C, Nanomaterials and interfaces.

The Challenge of Characterizing High-Concentration Electrolytes at the Molecular Level: A Perspective

D. Kuroda, Revati Kumar, Orlando Carrillo-Bohórquez, 2024, The Journal of Physical Chemistry C.

A transferable classical force field to describe glyme based lithium solvate ionic liquids.

D. Kuroda, Revati Kumar, Orlando Carrillo-Bohórquez, 2024, The Journal of chemical physics.