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Journal Articles

Phase behavior of metastable water from large-scale simulations of a quantitatively accurate model near ambient conditions: The liquid–liquid critical point

Featured
Luis Enrique Coronas, Giancarlo Franzese
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164502 (2024)
https://doi.org/10.1063/5.0219313
Published: October 2024
View article titled, Phase behavior of metastable water from large-scale simulations of a quantitatively accurate model near ambient conditions: The liquid–liquid critical point
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Journal Articles

Propensity of hydroxide and hydronium ions for the air–water and graphene–water interfaces from ab initio and force field simulations

Laura Scalfi, Louis Lehmann, Alexandre P. dos Santos, Maximilian R. Becker, Roland R. Netz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144701 (2024)
https://doi.org/10.1063/5.0226966
Published: October 2024
View article titled, Propensity of hydroxide and hydronium ions for the air–water and graphene–water interfaces from <em>ab initio</em> and force field simulations
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Journal Articles

Elucidating the link between binding statistics and Shannon information in biological networks

Kinshuk Banerjee, Biswajit Das
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 125102 (2024)
https://doi.org/10.1063/5.0226904
Published: September 2024
View article titled, Elucidating the link between binding statistics and Shannon information in biological networks
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Journal Articles

Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields

Shravan Kumar Sharma, Hsing-Ta Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 104102 (2024)
https://doi.org/10.1063/5.0225434
Published: September 2024
View article titled, Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields
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Journal Articles

Mixing water, sugar, and lipid: Conformations of isolated and micro-hydrated glycolipids in the gas phase

Ander Camiruaga, Alexandra Gouasmat, Jean-Marie Beau, Yann Bourdreux, Maélie Causse, Nathan Chapelle, Gilles Doisneau, Gildas Goldsztejn, Dominique Urban, Pierre Çarçabal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214313 (2024)
https://doi.org/10.1063/5.0211435
Published: June 2024
View article titled, Mixing water, sugar, and lipid: Conformations of isolated and micro-hydrated glycolipids in the gas phase
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Journal Articles

Structural dynamics of the heme pocket and intersubunit coupling in the dimeric hemoglobin from Scapharca inaequivalvis

Xiang Gao, Misao Mizuno, Haruto Ishikawa, Srinivasan Muniyappan, Hyotcherl Ihee, Yasuhisa Mizutani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 165102 (2024)
https://doi.org/10.1063/5.0203594
Published: April 2024
View article titled, Structural dynamics of the heme pocket and intersubunit coupling in the dimeric hemoglobin from <em>Scapharca inaequivalvis</em>
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Includes: Supplementary data
Journal Articles

A retrospective on statistical mechanical models for hemoglobin allostery

Editor’s Pick
William A. Eaton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 184104 (2022)
https://doi.org/10.1063/5.0127585
Published: November 2022
View article titled, A retrospective on statistical mechanical models for hemoglobin allostery
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Journal Articles

Distinct impacts of polar and nematic self-propulsion on active unjamming

Varun Venkatesh, Chandana Mondal, Amin Doostmohammadi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164901 (2022)
https://doi.org/10.1063/5.0103499
Published: October 2022
View article titled, Distinct impacts of polar and nematic self-propulsion on active unjamming
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Journal Articles

Plasmon-induced coherence, exciton-induced transparency, and Fano interference for hybrid plasmonic systems in strong coupling regime

Zoe Scott, Shafi Muhammad, Tigran V. Shahbazyan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194702 (2022)
https://doi.org/10.1063/5.0083197
Published: May 2022
View article titled, Plasmon-induced coherence, exciton-induced transparency, and Fano interference for hybrid plasmonic systems in strong coupling regime
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Journal Articles

Cooperative effects driving the multi-periodic dynamics of cyclically sheared amorphous solids

Asaf Szulc, Muhittin Mungan, Ido Regev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 164506 (2022)
https://doi.org/10.1063/5.0087164
Published: April 2022
View article titled, Cooperative effects driving the multi-periodic dynamics of cyclically sheared amorphous solids
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Journal Articles

Minimal mechanism for cyclic templating of length-controlled copolymers under isothermal conditions

Jordan Juritz, Jenny M. Poulton, Thomas E. Ouldridge
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 074103 (2022)
https://doi.org/10.1063/5.0077865
Published: February 2022
View article titled, Minimal mechanism for cyclic templating of length-controlled copolymers under isothermal conditions
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Includes: Supplementary data
Journal Articles

Spontaneous lipid binding to the nicotinic acetylcholine receptor in a native membrane

Liam Sharp, Grace Brannigan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 185102 (2021)
https://doi.org/10.1063/5.0046333
Published: May 2021
View article titled, Spontaneous lipid binding to the nicotinic acetylcholine receptor in a native membrane
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Includes: Supplementary data
Journal Articles

Erratum: “Spin polarization as an electronic cooperative effect” [J. Chem. Phys. 153, 044118 (2020)]

Nadia Ben Amor, Georges Trinquier, Jean-Paul Malrieu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 249901 (2020)
https://doi.org/10.1063/5.0039315
Published: December 2020
View article titled, Erratum: “Spin polarization as an electronic cooperative effect” [J. Chem. Phys. 153, 044118 (2020)]
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Journal Articles

Spin polarization as an electronic cooperative effect

Nadia Ben Amor, Camille Noûs, Georges Trinquier, Jean-Paul Malrieu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 044118 (2020)
https://doi.org/10.1063/5.0011582
Published: July 2020
View article titled, Spin polarization as an electronic cooperative effect
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Includes: Supplementary data
Journal Articles

How proteins’ negative cooperativity emerges from entropic optimisation of versatile collective fluctuations

Alice C. von der Heydt, Tom C. B. McLeish
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 215101 (2019)
https://doi.org/10.1063/1.5123741
Published: December 2019
View article titled, How proteins’ negative cooperativity emerges from entropic optimisation of versatile collective fluctuations
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Journal Articles

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors

Fausto Martelli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 094506 (2019)
https://doi.org/10.1063/1.5087471
Published: March 2019
View article titled, Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors
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Journal Articles

Optimizing co-operative multi-environment dynamics in a dark-state-enhanced photosynthetic heat engine

Melina Wertnik, Alex Chin, Franco Nori, Neill Lambert
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 084112 (2018)
https://doi.org/10.1063/1.5040898
Published: August 2018
View article titled, Optimizing co-operative multi-environment dynamics in a dark-state-enhanced photosynthetic heat engine
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Journal Articles

Two-stage DNA compaction induced by silver ions suggests a cooperative binding mechanism

Wen-Yan Jiang, Shi-Yong Ran
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 205102 (2018)
https://doi.org/10.1063/1.5025348
Published: May 2018
View article titled, Two-stage DNA compaction induced by silver ions suggests a cooperative binding mechanism
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Journal Articles

Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature

Jyoti Roy Choudhuri, Amalendu Chandra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 024702 (2018)
https://doi.org/10.1063/1.5005951
Published: January 2018
View article titled, Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature
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Journal Articles

A second order thermodynamic perturbation theory for hydrogen bond cooperativity in water

Bennett D. Marshall
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 174104 (2017)
https://doi.org/10.1063/1.4982229
Published: May 2017
View article titled, A second order thermodynamic perturbation theory for hydrogen bond cooperativity in water
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