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Journal Articles

Heterogeneous microstructure of γ-irradiated pre-oxidized PAN fiber revealed by microfocus SR-SAXS reconstruction and molecular simulation

Tianyu Li, Ruiqi Shao, Haiting Shi, Shengkai Liu, Feng Tian, Jianrong Zeng, Zhiwei Xu, Fenggang Bian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124903 (2024)
https://doi.org/10.1063/5.0229949
Published: September 2024
View article titled, Heterogeneous microstructure of γ-irradiated pre-oxidized PAN fiber revealed by microfocus SR-SAXS reconstruction and molecular simulation
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Journal Articles

Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes

Luca Bertini, Valeria Libera, Sara Catalini, Giorgio Schirò, Andrea Orecchini, Renzo Campanella, Valentina Arciuolo, Bruno Pagano, Caterina Petrillo, Cristiano De Michele, Lucia Comez, Alessandro Paciaroni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 105101 (2024)
https://doi.org/10.1063/5.0225371
Published: September 2024
View article titled, Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes
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Journal Articles

Atomic momentum distributions in polyatomic molecules in rotational–vibrational eigenstates

Sota Sakaguchi, Yasuhiro Ohshima, Masakazu Yamazaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094105 (2024)
https://doi.org/10.1063/5.0222671
Published: September 2024
View article titled, Atomic momentum distributions in polyatomic molecules in rotational–vibrational eigenstates
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Journal Articles

Unlocking the unfolded structure of ubiquitin: Combining time-resolved x-ray solution scattering and molecular dynamics to generate unfolded ensembles

Featured
Adam K. Nijhawan, Denis Leshchev, Darren J. Hsu, Arnold M. Chan, Dolev Rimmerman, Jiyun Hong, Irina Kosheleva, Robert Henning, Kevin L. Kohlstedt, Lin X. Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 035101 (2024)
https://doi.org/10.1063/5.0217013
Published: July 2024
View article titled, Unlocking the unfolded structure of ubiquitin: Combining time-resolved x-ray solution scattering and molecular dynamics to generate unfolded ensembles
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Journal Articles

Enhancing the dielectric constant of zwitterionic liquids via dipole moment and anion chemistry

Editor’s Pick
Wenwen Mei, Ralph H. Colby, Robert J. Hickey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014506 (2024)
https://doi.org/10.1063/5.0213612
Published: July 2024
View article titled, Enhancing the dielectric constant of zwitterionic liquids via dipole moment and anion chemistry
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Journal Articles

Unveiling a common phase transition pathway of high-density amorphous ices through time-resolved x-ray scattering

Cheolhee Yang, Marjorie Ladd-Parada, Kyeongmin Nam, Sangmin Jeong, Seonju You, Tobias Eklund, Alexander Späh, Harshad Pathak, Jae Hyuk Lee, Intae Eom, Minseok Kim, Fivos Perakis, Anders Nilsson, Kyung Hwan Kim, Katrin Amann-Winkel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 244503 (2024)
https://doi.org/10.1063/5.0216904
Published: June 2024
View article titled, Unveiling a common phase transition pathway of high-density amorphous ices through time-resolved x-ray scattering
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Journal Articles

Shear wave propagation in a liquid crystal: An inelastic X-ray scattering study

S. T. Lynch, A. De Francesco, L. Scaccia, A. Suvorov, Y. Q. Cai, D. M. Agra-Kooijman, L. L. Sharpnack, Satyendra Kumar, A. Cunsolo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234505 (2024)
https://doi.org/10.1063/5.0212229
Published: June 2024
View article titled, Shear wave propagation in a liquid crystal: An inelastic X-ray scattering study
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Includes: Supplementary data
Journal Articles

Equilibrium structure and shape of Ag and Pt nanoparticles grown on silica surfaces: From experimental investigations to the determination of a metal–silica potential

F. Ait Hellal, C. Andreazza-Vignolle, P. Andreazza, J. Puibasset
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164717 (2024)
https://doi.org/10.1063/5.0200185
Published: April 2024
View article titled, Equilibrium structure and shape of Ag and Pt nanoparticles grown on silica surfaces: From experimental investigations to the determination of a metal–silica potential
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Journal Articles

Particle topology-regulated relaxation dynamics in cluster-ordering

Binghui Xue, Wei Liufu, Jiafu Yin, Junsheng Yang, Panchao Yin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154902 (2024)
https://doi.org/10.1063/5.0195905
Published: April 2024
View article titled, Particle topology-regulated relaxation dynamics in cluster-ordering
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Includes: Supplementary data
Journal Articles

Contrast dependence of scattering profiles for poly(ethylene glycol) in water: Investigation by small-angle neutron scattering with 3He spin filter and small-angle x-ray scattering

Akiyuki Ryoki, Fumi Watanabe, Takuya Okudaira, Shingo Takahashi, Takayuki Oku, Kosuke Hiroi, Ryuhei Motokawa, Yo Nakamura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114907 (2024)
https://doi.org/10.1063/5.0192680
Published: March 2024
View article titled, Contrast dependence of scattering profiles for poly(ethylene glycol) in water: Investigation by small-angle neutron scattering with <sup>3</sup>He spin filter and small-angle x-ray scattering
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Includes: Supplementary data
Journal Articles

Mesoscale self-organization of polydisperse magnetic nanoparticles at the water surface

Victor Ukleev, Artoem Khassanov, Irina Snigireva, Oleg Konovalov, Alexei Vorobiev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074703 (2024)
https://doi.org/10.1063/5.0190550
Published: February 2024
View article titled, Mesoscale self-organization of polydisperse magnetic nanoparticles at the water surface
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Journal Articles

The structure of water: A historical perspective

Featured
John L. Finney
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 060901 (2024)
https://doi.org/10.1063/5.0182665
Published: February 2024
View article titled, The structure of water: A historical perspective
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Journal Articles

Phase transitions and dynamics in ionic liquid crystals confined in nanopores

Hiroki Nobori, Daisuke Fujimoto, Jun Yoshioka, Koji Fukao, Takashi Konishi, Ken Taguchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044902 (2024)
https://doi.org/10.1063/5.0185093
Published: January 2024
View article titled, Phase transitions and dynamics in ionic liquid crystals confined in nanopores
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Includes: Supplementary data
Journal Articles

Lyotropic liquid crystal phases of monoolein in protic ionic liquids

Stefan Paporakis, Stuart J. Brown, Connie Darmanin, Susanne Seibt, Patrick Adams, Michael Hassett, Andrew V. Martin, Tamar L. Greaves
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024901 (2024)
https://doi.org/10.1063/5.0180420
Published: January 2024
View article titled, Lyotropic liquid crystal phases of monoolein in protic ionic liquids
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Includes: Supplementary data
Journal Articles

Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study

A. De Francesco, F. Formisano, L. Scaccia, E. Guarini, U. Bafile, M. A. González, A. Alatas, S. T. Lynch, A. Cunsolo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 244501 (2023)
https://doi.org/10.1063/5.0180961
Published: December 2023
View article titled, Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study
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Includes: Supplementary data
Journal Articles

Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation

Stephanos Karafiludis, Ernesto Scoppola, Stephan E. Wolf, Zdravko Kochovski, David Matzdorff, Alexander E. S. Van Driessche, Jörn Hövelmann, Franziska Emmerling, Tomasz M. Stawski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 134503 (2023)
https://doi.org/10.1063/5.0166278
Published: October 2023
View article titled, Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation
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Includes: Supplementary data
Journal Articles

Eliminating finite-size effects on the calculation of x-ray scattering from molecular dynamics simulations

A. O. Dohn, V. Markmann, A. Nimmrich, K. Haldrup, K. B. Møller, M. M. Nielsen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 124115 (2023)
https://doi.org/10.1063/5.0164365
Published: September 2023
View article titled, Eliminating finite-size effects on the calculation of x-ray scattering from molecular dynamics simulations
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Journal Articles

Colloidal gels

Ryan B. Jadrich, Delia J. Milliron, Thomas M. Truskett
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 090401 (2023)
https://doi.org/10.1063/5.0170798
Published: September 2023
View article titled, Colloidal gels
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Journal Articles

Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility

O. L. G. Alderman, C. J. Benmore, D. Holland, J. K. R. Weber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224501 (2023)
https://doi.org/10.1063/5.0153282
Published: June 2023
View article titled, Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility
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Includes: Supplementary data
Journal Articles

High unimer concentration and asymmetric bilayer observed in small unilamellar vesicles of mixed surfactants TDMAO/LiPFO

Anja F. Hörmann, Artem Feoktystov, Theyencheri Narayanan, Jeremie Gummel, Michael Gradzielski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 214901 (2023)
https://doi.org/10.1063/5.0150223
Published: June 2023
View article titled, High unimer concentration and asymmetric bilayer observed in small unilamellar vesicles of mixed surfactants TDMAO/LiPFO
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Includes: Supplementary data