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Journal Articles

Interactions of clathrate hydrate promoters sodium dodecyl sulfate and tetrahydrofuran investigated using 1H diffusion nuclear magnetic resonance at hydrate-forming conditions

Zoe Adkins, Yuan Yang, Ryan L. Hartman, Carolyn A. Koh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094502 (2024)
https://doi.org/10.1063/5.0221008
Published: September 2024
View article titled, Interactions of clathrate hydrate promoters sodium dodecyl sulfate and tetrahydrofuran investigated using <sup>1</sup>H diffusion nuclear magnetic resonance at hydrate-forming conditions
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Journal Articles

Hydrogen-bond network in an equimolar acetic acid–water mixture as studied by neutron scattering and density functional theory

Sahbi Trabelsi, Mouadh Tlili, Férid Hammami, Salah Nasr, Marie-Claire Bellissent-Funel, Jacques Darpentigny
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 224503 (2023)
https://doi.org/10.1063/5.0171172
Published: December 2023
View article titled, Hydrogen-bond network in an equimolar acetic acid–water mixture as studied by neutron scattering and density functional theory
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Journal Articles

Effects of molecular shape and flexibility on fast sound of organic liquids

Tsuyoshi Yamaguchi, Koji Yoshida, Shinya Hosokawa, Daisuke Ishikawa, Alfred Q. R. Baron
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 154504 (2022)
https://doi.org/10.1063/5.0107387
Published: October 2022
View article titled, Effects of molecular shape and flexibility on fast sound of organic liquids
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Includes: Supplementary data
Journal Articles

Uncertainty quantification of phase transition quantities from cluster weighting calculations

Jan Blasius, Paul Zaby, Jürgen Dölz, Barbara Kirchner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 014505 (2022)
https://doi.org/10.1063/5.0093057
Published: July 2022
View article titled, Uncertainty quantification of phase transition quantities from cluster weighting calculations
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Includes: Supplementary data
Journal Articles

Excess wings and asymmetric relaxation spectra in a facilitated trap model

Camille Scalliet, Benjamin Guiselin, Ludovic Berthier
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064505 (2021)
https://doi.org/10.1063/5.0060408
Published: August 2021
View article titled, Excess wings and asymmetric relaxation spectra in a facilitated trap model
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Journal Articles

Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering

Viktoriia Savchenko, Victor Ekholm, Iulia Emilia Brumboiu, Patrick Norman, Annette Pietzsch, Alexander Föhlisch, Jan-Erik Rubensson, Johan Gråsjö, Olle Björneholm, Conny Såthe, Minjie Dong, Thorsten Schmitt, Daniel McNally, Xingye Lu, Pavel Krasnov, Sergey P. Polyutov, Faris Gel’mukhanov, Michael Odelius, Victor Kimberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 214304 (2021)
https://doi.org/10.1063/5.0049966
Published: June 2021
View article titled, Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering
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Journal Articles

Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields

Qiang Zhu, Yuming Gu, Limu Hu, Théophile Gaudin, Mengting Fan, Jing Ma
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 074502 (2021)
https://doi.org/10.1063/5.0038267
Published: February 2021
View article titled, Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields
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Includes: Supplementary data
Journal Articles

Influence of acetic acid on the photocatalytic activity of photosensitiser–amphiphilic polymer complexes in the oxidation reaction of tryptophan

V. V. Kardumyan, N. A. Aksenova, N. N. Glagolev, P. S. Timashev, A. B. Solovieva
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 194901 (2020)
https://doi.org/10.1063/5.0007362
Published: May 2020
View article titled, Influence of acetic acid on the photocatalytic activity of photosensitiser–amphiphilic polymer complexes in the oxidation reaction of tryptophan
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Journal Articles

Hyper-Raman spectroscopy of polar liquids excited at 1064 nm: Acetone, acetonitrile, chloroform, and dimethyl sulfoxide

Masanari Okuno (奥野将成)
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 174202 (2020)
https://doi.org/10.1063/5.0004755
Published: May 2020
View article titled, Hyper-Raman spectroscopy of polar liquids excited at 1064 nm: Acetone, acetonitrile, chloroform, and dimethyl sulfoxide
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Journal Articles

Probing ultrafast shock-induced chemistry in liquids using broad-band mid-infrared absorption spectroscopy

Pamela Bowlan, Michael Powell, Romain Perriot, Enrique Martinez, Edward M. Kober, M. J. Cawkwell, Shawn McGrane
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 204503 (2019)
https://doi.org/10.1063/1.5092242
Published: May 2019
View article titled, Probing ultrafast shock-induced chemistry in liquids using broad-band mid-infrared absorption spectroscopy
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Includes: Supplementary data
Journal Articles

Carboxylic acids in aqueous solutions: Hydrogen bonds, hydrophobic effects, concentration fluctuations, ionization, and catalysis

Torsten Gailus, Holger Krah, Volker Kühnel, Andreas Rupprecht, Udo Kaatze
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 244503 (2018)
https://doi.org/10.1063/1.5063877
Published: December 2018
View article titled, Carboxylic acids in aqueous solutions: Hydrogen bonds, hydrophobic effects, concentration fluctuations, ionization, and catalysis
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Includes: Supplementary data
Journal Articles

Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

Christoph Hille, Stefan Ringe, Martin Deimel, Christian Kunkel, William E. Acree, Karsten Reuter, Harald Oberhofer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 041710 (2019)
https://doi.org/10.1063/1.5050938
Published: December 2018
View article titled, Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme
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Includes: Supplementary data
Journal Articles

Vibrational exciton coupling in homo and hetero dimers of carboxylic acids studied by linear infrared and Raman jet spectroscopy

Editor’s Pick
Katharina A. E. Meyer, Martin A. Suhm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 104307 (2018)
https://doi.org/10.1063/1.5043400
Published: September 2018
View article titled, Vibrational exciton coupling in homo and hetero dimers of carboxylic acids studied by linear infrared and Raman jet spectroscopy
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Journal Articles

The origin of the conductivity maximum vs. mixing ratio in pyridine/acetic acid and water/acetic acid

Nikhil P. Aravindakshan, Kyle E. Gemmell, Keith E. Johnson, Allan L. L. East
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 094505 (2018)
https://doi.org/10.1063/1.5039623
Published: September 2018
View article titled, The origin of the conductivity maximum vs. mixing ratio in pyridine/acetic acid and water/acetic acid
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Includes: Supplementary data
Journal Articles

Anomalous viscosity-time behavior of polysaccharide dispersions

Nir Kampf, Ellen J. Wachtel, Anton Zilman, Noah Ben-Shalom, Jacob Klein
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 163320 (2018)
https://doi.org/10.1063/1.5027720
Published: July 2018
View article titled, Anomalous viscosity-time behavior of polysaccharide dispersions
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Journal Articles

A generalized linear response framework for expanded ensemble and replica exchange simulations

Brian K. Radak, Donghyuk Suh, Benoît Roux
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 072315 (2018)
https://doi.org/10.1063/1.5027494
Published: June 2018
View article titled, A generalized linear response framework for expanded ensemble and replica exchange simulations
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Includes: Supplementary data
Journal Articles

A general mixture equation of state for double bonding carboxylic acids with ≥ 2 association sites

Bennett D. Marshall
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 174103 (2018)
https://doi.org/10.1063/1.5024684
Published: May 2018
View article titled, A general mixture equation of state for double bonding carboxylic acids with ≥ 2 association sites
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Journal Articles

ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

Mert Y. Sengul, Clive A. Randall, Adri C. T. van Duin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 164506 (2018)
https://doi.org/10.1063/1.5025932
Published: April 2018
View article titled, ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures
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Includes: Supplementary data
Journal Articles

Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism

John J. Karnes, Ilan Benjamin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 034707 (2018)
https://doi.org/10.1063/1.5012506
Published: January 2018
View article titled, Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism
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Includes: Supplementary data
Journal Articles

Formic acid dimers in a nitrogen matrix

Susy Lopes, Rui Fausto, Leonid Khriachtchev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 034301 (2018)
https://doi.org/10.1063/1.5010417
Published: January 2018
View article titled, Formic acid dimers in a nitrogen matrix
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Includes: Supplementary data