1-20 of 1893
Integral calculus
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Equation of state of a small system with surface degrees of freedom

Available to Purchase
Dmitry M. Naplekov, Vladimir V. Yanovsky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 014101 (2025)
https://doi.org/10.1063/5.0266498
Published: July 2025
View articletitled, Equation of state of a small system with surface degrees of freedom
Open the PDF for Equation of state of a small system with surface degrees of freedom in another window
Journal Articles

Particle dynamics in biconical cavities: First-passage, direct-transit, and looping time distributions

Free
Alexander M. Berezhkovskii, Leonardo Dagdug, Sergey M. Bezrukov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 244117 (2025)
https://doi.org/10.1063/5.0274941
Published: June 2025
View articletitled, Particle dynamics in biconical cavities: First-passage, direct-transit, and looping time distributions
Open the PDF for Particle dynamics in biconical cavities: First-passage, direct-transit, and looping time distributions in another window
Journal Articles

Microscopic theory of activated ion hopping in polymerized ionic liquids and glasses

Available to Purchase
Ankita Das, Kenneth S. Schweizer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194906 (2025)
https://doi.org/10.1063/5.0262448
Published: May 2025
View articletitled, Microscopic theory of activated ion hopping in polymerized ionic liquids and glasses
Open the PDF for Microscopic theory of activated ion hopping in polymerized ionic liquids and glasses in another window
Journal Articles

Phase diagram of the hard-sphere potential model in three and four dimensions using a pseudo-hard-sphere potential

Available to Purchase
Edwin A. Bedolla-Montiel, Ramón A. Castañeda-Cerdán, Ramón Castañeda-Priego
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164504 (2025)
https://doi.org/10.1063/5.0264356
Published: April 2025
View articletitled, Phase diagram of the hard-sphere potential model in three and four dimensions using a pseudo-hard-sphere potential
Open the PDF for Phase diagram of the hard-sphere potential model in three and four dimensions using a pseudo-hard-sphere potential in another window
Journal Articles

Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C–N stretching mode of organic compounds

Available to Purchase
Naoki Negishi, Daisuke Yokogawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 104103 (2025)
https://doi.org/10.1063/5.0253421
Published: March 2025
View articletitled, Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C–N stretching mode of organic compounds
Open the PDF for Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C–N stretching mode of organic compounds in another window
Journal Articles

A new determination of group-modified pore size distribution of activated carbon from confined density distribution

Available to Purchase
Yao Qin, Ling Zhu, Yulin Liu, Yudan Zhu, Xiaohua Lu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 094701 (2025)
https://doi.org/10.1063/5.0249738
Published: March 2025
View articletitled, A new determination of group-modified pore size distribution of activated carbon from confined density distribution
Open the PDF for A new determination of group-modified pore size distribution of activated carbon from confined density distribution in another window
Journal Articles

Analytical solution for the hydrodynamic resistance of a disk in a compressible fluid layer with odd viscosity on a rigid substrate

Open Access
Abdallah Daddi-Moussa-Ider, Andrej Vilfan, Yuto Hosaka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 064103 (2025)
https://doi.org/10.1063/5.0249623
Published: February 2025
View articletitled, Analytical solution for the hydrodynamic resistance of a disk in a compressible fluid layer with odd viscosity on a rigid substrate
Open the PDF for Analytical solution for the hydrodynamic resistance of a disk in a compressible fluid layer with odd viscosity on a rigid substrate in another window
Journal Articles

Comment on “Long-range asymptotics of exchange energy in the hydrogen molecule” [J. Chem. Phys. 152, 174308 (2020)]

Free
T. C. Scott
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 057101 (2025)
https://doi.org/10.1063/5.0239295
Published: February 2025
View articletitled, Comment on “Long-range asymptotics of exchange energy in the hydrogen molecule” [J. Chem. Phys. 152, 174308 (2020)]
Open the PDF for Comment on “Long-range asymptotics of exchange energy in the hydrogen molecule” [J. Chem. Phys. 152, 174308 (2020)] in another window
Journal Articles

Mechanism of polymer molecular weight-dependent suppression and promotion of liquid–liquid phase separation of a protein solution by the addition of polymer

Free
Yoshihiro Osaka, Ryuichi Okamoto, Tomonari Sumi, Kenichiro Koga, Hiroshi Imamura, Tsuyoshi Shirai, Yasuhiro Isogai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 051101 (2025)
https://doi.org/10.1063/5.0245398
Published: February 2025
View articletitled, Mechanism of polymer molecular weight-dependent suppression and promotion of liquid–liquid phase separation of a protein solution by the addition of polymer
Open the PDF for Mechanism of polymer molecular weight-dependent suppression and promotion of liquid–liquid phase separation of a protein solution by the addition of polymer in another window
Journal Articles

When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory?

Available to Purchase
Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony, Ralf Ludwig, Anne Strate, Nore Stolte, Harald Forbert, Dominik Marx
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054501 (2025)
https://doi.org/10.1063/5.0249826
Published: February 2025
View articletitled, When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory?
Open the PDF for When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory? in another window
Journal Articles

The orientational structure of a model patchy particle fluid: Simulations, integral equations, density functional theory, and machine learning

Editor’s PickAvailable to Purchase
Alessandro Simon, Luc Belloni, Daniel Borgis, Martin Oettel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034503 (2025)
https://doi.org/10.1063/5.0248694
Published: January 2025
View articletitled, The orientational structure of a model patchy particle fluid: Simulations, integral equations, density functional theory, and machine learning
Open the PDF for The orientational structure of a model patchy particle fluid: Simulations, integral equations, density functional theory, and machine learning in another window
Journal Articles

Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes

Open Access
Mohammadhasan Dinpajooh, Nadia N. Intan, Timothy T. Duignan, Elisa Biasin, John L. Fulton, Shawn M. Kathmann, Gregory K. Schenter, Christopher J. Mundy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 230901 (2024)
https://doi.org/10.1063/5.0238708
Published: December 2024
View articletitled, Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes
Open the PDF for Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes in another window
Journal Articles

Meijer-G and other resummation strategies for the Møller–Plesset perturbation series

Available to Purchase
Yilin Zhao, Wenbiao Zhang, Chunying Rong, Paul W. Ayers
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194112 (2024)
https://doi.org/10.1063/5.0238490
Published: November 2024
View articletitled, Meijer-G and other resummation strategies for the Møller–Plesset perturbation series
Open the PDF for Meijer-G and other resummation strategies for the Møller–Plesset perturbation series in another window
Journal Articles

Two-molecule theory of polyethylene liquids

Available to Purchase
Huimin Li, James P. Donley, David T. Wu, John G. Curro, Caleb A. Tormey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194903 (2024)
https://doi.org/10.1063/5.0242204
Published: November 2024
View articletitled, Two-molecule theory of polyethylene liquids
Open the PDF for Two-molecule theory of polyethylene liquids in another window
Journal Articles

Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes

Open Access
Mohammadhasan Dinpajooh, Elisa Biasin, Emily T. Nienhuis, Sebastian T. Mergelsberg, Chris J. Benmore, Gregory K. Schenter, John L. Fulton, Shawn M. Kathmann, Christopher J. Mundy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 151102 (2024)
https://doi.org/10.1063/5.0234518
Published: October 2024
View articletitled, Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes
Open the PDF for Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes in another window
Journal Articles

Closure to the PRISM equation derived from nonlinear response theory

Available to Purchase
James P. Donley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124902 (2024)
https://doi.org/10.1063/5.0226882
Published: September 2024
View articletitled, Closure to the PRISM equation derived from nonlinear response theory
Open the PDF for Closure to the PRISM equation derived from nonlinear response theory in another window
Journal Articles

Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

Available to Purchase
Nikita P. Kryuchkov, Artur D. Nasyrov, Ilya R. Denisenko, Stanislav O. Yurchenko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094505 (2024)
https://doi.org/10.1063/5.0213689
Published: September 2024
View articletitled, Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range
Open the PDF for Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range in another window
Journal Articles

Liquid state theory of the structure of model polymerized ionic liquids

Available to Purchase
Ankita Das, Baicheng Mei, Alexei P. Sokolov, Rajeev Kumar, Kenneth S. Schweizer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064904 (2024)
https://doi.org/10.1063/5.0214334
Published: August 2024
View articletitled, Liquid state theory of the structure of model polymerized ionic liquids
Open the PDF for Liquid state theory of the structure of model polymerized ionic liquids in another window
Journal Articles

Comment on “Binding Debye–Hückel theory for associative electrolyte solutions” [J. Chem. Phys. 159, 154503 (2023)]

Available to Purchase
Jean-Pierre Simonin, Olivier Bernard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 057102 (2024)
https://doi.org/10.1063/5.0189173
Published: August 2024
View articletitled, Comment on “Binding Debye–Hückel theory for associative electrolyte solutions” [J. Chem. Phys. 159, 154503 (2023)]
Open the PDF for Comment on “Binding Debye–Hückel theory for associative electrolyte solutions” [J. Chem. Phys. 159, 154503 (2023)] in another window
Journal Articles

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

Available to Purchase
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
Open the PDF for Nonlinear Poisson–Boltzmann solutions for charged parallel plates: When opposite charges repel in another window