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Journal Articles

Freezing in flat monolayers of soft spherocylinders

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Jaydeep Mandal, Henricus H. Wensink, Prabal K. Maiti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 134903 (2025)
https://doi.org/10.1063/5.0245950
Published: April 2025
View articletitled, Freezing in flat monolayers of soft spherocylinders
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Journal Articles

Advances in plasma-driven solution electrochemistry

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Peter J. Bruggeman, Renee R. Frontiera, Uwe Kortshagen, Mark J. Kushner, Suljo Linic, George C. Schatz, Himashi Andaraarachchi, Subhajyoti Chaudhuri, Han-Ting Chen, Collin D. Clay, Tiago C. Dias, Scott Doyle, Leighton O. Jones, Mackenzie Meyer, Chelsea M. Mueller, Jae Hyun Nam, Astrid Raisanen, Christopher C. Rich, Tanubhav Srivastava, Chi Xu, Dongxuan Xu, Yi Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 071001 (2025)
https://doi.org/10.1063/5.0248579
Published: February 2025
View articletitled, Advances in plasma-driven solution electrochemistry
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Journal Articles

Determination of the electron temperature and electron density in reduced pressure hydrogen peroxide (H2O2) discharge

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Ali Akbar Khan, N. A. D. Khattak, Muhammad Khalid, Maryam Al Huwayz, Albandari W. Alrowaily, S. A. El-Tantawy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064505 (2024)
https://doi.org/10.1063/5.0219441
Published: August 2024
View articletitled, Determination of the electron temperature and electron density in reduced pressure hydrogen peroxide (H2O2) discharge
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Journal Articles

Nonlinear Poisson–Boltzmann solutions for charged parallel plates: When opposite charges repel

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Alex Travesset
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054903 (2024)
https://doi.org/10.1063/5.0221826
Published: August 2024
View articletitled, Nonlinear Poisson–Boltzmann solutions for charged parallel plates: When opposite charges repel
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Journal Articles

MolDStruct: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics

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Ibrahim Dawod, Sebastian Cardoch, Tomas André, Emiliano De Santis, Juncheng E, Adrian P. Mancuso, Carl Caleman, Nicusor Timneanu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184112 (2024)
https://doi.org/10.1063/5.0197225
Published: May 2024
View articletitled, MolDStruct: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics
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Journal Articles

The associative ionization of N(2P) + O(3P)

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Nicholas S. Shuman, Thomas M. Miller, Shaun G. Ard, Albert A. Viggiano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114309 (2024)
https://doi.org/10.1063/5.0188483
Published: March 2024
View articletitled, The associative ionization of N(2P) + O(3P)
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Includes: Supplementary data
Journal Articles

Ion–ion association is lost by linearizing the Poisson–Boltzmann equation when deriving the Debye–Hückel equation

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Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034506 (2024)
https://doi.org/10.1063/5.0184269
Published: January 2024
View articletitled, Ion–ion association is lost by linearizing the Poisson–Boltzmann equation when deriving the Debye–Hückel equation
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Includes: Supplementary data
Journal Articles

A Gaussian field approach to the planar electric double layer structures in electrolyte solutions

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Tiejun Xiao, Xueyu Song
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 174104 (2023)
https://doi.org/10.1063/5.0138568
Published: May 2023
View articletitled, A Gaussian field approach to the planar electric double layer structures in electrolyte solutions
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Journal Articles

Polyelectrolyte complexation of two oppositely charged symmetric polymers: A minimal theory

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Soumik Mitra, Arindam Kundagrami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 014904 (2023)
https://doi.org/10.1063/5.0128904
Published: January 2023
View articletitled, Polyelectrolyte complexation of two oppositely charged symmetric polymers: A minimal theory
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Journal Articles

Underscreening and hidden ion structures in large scale simulations of concentrated electrolytes

Open Access
Emily Krucker-Velasquez, James W. Swan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 134903 (2021)
https://doi.org/10.1063/5.0061230
Published: October 2021
View articletitled, Underscreening and hidden ion structures in large scale simulations of concentrated electrolytes
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Journal Articles

Electronic structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO ---

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Mark C. Babin, Martin DeWitt, Jessalyn A. DeVine, David C. McDonald, II, Shaun G. Ard, Nicholas S. Shuman, Albert A. Viggiano, Lan Cheng, Daniel M. Neumark
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114305 (2021)
https://doi.org/10.1063/5.0063307
Published: September 2021
View articletitled, Electronic structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO ---
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Journal Articles

Mean force kinetic theory applied to self-diffusion in supercritical Lennard-Jones fluids

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Brett Scheiner, Scott D. Baalrud
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 174102 (2020)
https://doi.org/10.1063/5.0005435
Published: May 2020
View articletitled, Mean force kinetic theory applied to self-diffusion in supercritical Lennard-Jones fluids
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Journal Articles

Toward a quantitative analysis of the temperature dependence of electron attachment to SF6

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John C. Poutsma, Nicholas S. Shuman, Thomas M. Miller, Jürgen Troe, Albert A. Viggiano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 124302 (2020)
https://doi.org/10.1063/5.0002705
Published: March 2020
View articletitled, Toward a quantitative analysis of the temperature dependence of electron attachment to SF6
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Journal Articles

Implicit self-consistent electrolyte model in plane-wave density-functional theory

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Kiran Mathew, V. S. Chaitanya Kolluru, Srinidhi Mula, Stephan N. Steinmann, Richard G. Hennig
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 234101 (2019)
https://doi.org/10.1063/1.5132354
Published: December 2019
View articletitled, Implicit self-consistent electrolyte model in plane-wave density-functional theory
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Journal Articles

Driving an electrolyte through a corrugated nanopore

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Paolo Malgaretti, Mathijs Janssen, Ignacio Pagonabarraga, J. Miguel Rubi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 084902 (2019)
https://doi.org/10.1063/1.5110349
Published: August 2019
View articletitled, Driving an electrolyte through a corrugated nanopore
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Journal Articles

Confinement-controlled rectification in a geometric nanofluidic diode

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S. Dal Cengio, I. Pagonabarraga
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044707 (2019)
https://doi.org/10.1063/1.5108723
Published: July 2019
View articletitled, Confinement-controlled rectification in a geometric nanofluidic diode
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Theoretical analysis of screened many-body electrostatic interactions between charged polarizable particles

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Eric B. Lindgren, Chaoyu Quan, Benjamin Stamm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 044901 (2019)
https://doi.org/10.1063/1.5079515
Published: January 2019
View articletitled, Theoretical analysis of screened many-body electrostatic interactions between charged polarizable particles
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Journal Articles

Detecting the undetectable: The role of trace surfactant in the Jones-Ray effect

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Timothy T. Duignan, Mengsu Peng, Anh V. Nguyen, X. S. Zhao, Marcel D. Baer, Christopher J. Mundy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 194702 (2018)
https://doi.org/10.1063/1.5050421
Published: November 2018
View articletitled, Detecting the undetectable: The role of trace surfactant in the Jones-Ray effect
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Includes: Supplementary data
Journal Articles

Conformations of polyelectrolyte molecular brushes: A mean-field theory

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Oleg V. Borisov, Ekaterina B. Zhulina
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 184904 (2018)
https://doi.org/10.1063/1.5051353
Published: November 2018
View articletitled, Conformations of polyelectrolyte molecular brushes: A mean-field theory
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Journal Articles

Describing screening in dense ionic fluids with a charge-frustrated Ising model

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Nicholas B. Ludwig, Kinjal Dasbiswas, Dmitri V. Talapin, Suriyanarayanan Vaikuntanathan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 164505 (2018)
https://doi.org/10.1063/1.5043410
Published: October 2018
View articletitled, Describing screening in dense ionic fluids with a charge-frustrated Ising model
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