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Journal Articles

Iron redox effect on the structure and viscosity of a sodium silicate glass and melt

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Sohei Sukenaga, Maria Rita Cicconi, Hiroki Yamada, Toru Wakihara, Koji Ohara, Hiroyuki Shibata, Daniel R. Neuville
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244503 (2024)
https://doi.org/10.1063/5.0243427
Published: December 2024
View articletitled, Iron redox effect on the structure and viscosity of a sodium silicate glass and melt
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Journal Articles

Pressure-cycling induced transition behaviors of MnBi2Te4

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Jie Wu, Yan Feng, Yifeng Ren, Ziyou Zhang, Yanping Yang, Xinyao Wang, Fuhai Su, Hongliang Dong, Yang Lu, Xiaojun Zhang, Yu Deng, Bin Xiang, Zhiqiang Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034707 (2024)
https://doi.org/10.1063/5.0184624
Published: January 2024
View articletitled, Pressure-cycling induced transition behaviors of MnBi2Te4
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Journal Articles

Ethanol–water motifs—A re-interpretation of the double-difference pair distribution functions of aqueous iron oxide nanoparticle dispersions

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Sabrina L. J. Thomä, Mirijam Zobel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224704 (2023)
https://doi.org/10.1063/5.0147659
Published: June 2023
View articletitled, Ethanol–water motifs—A re-interpretation of the double-difference pair distribution functions of aqueous iron oxide nanoparticle dispersions
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Includes: Supplementary data
Journal Articles

Room-temperature synthesis of 2D-Ti3C2Tx nano-sheets by organic base treatment

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Sunaina Rafiq, Alessandra Gentili, Maria Assunta Navarra, Corrado Zamparelli, Maria Grazia Betti, Riccardo Frisenda, Carlo Mariani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 214706 (2023)
https://doi.org/10.1063/5.0146821
Published: June 2023
View articletitled, Room-temperature synthesis of 2D-Ti3C2Tx nano-sheets by organic base treatment
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Journal Articles

Modification of micro-crystalline graphite and carbon black by acetone, toluene, and phenol

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Teodor I. Milenov, Dimitar A. Dimov, Ivalina A. Avramova, Stefan K. Kolev, Dimitar V. Trifonov, Georgi V. Avdeev, Daniela B. Karashanova, Biliana C. Georgieva, Kamen V. Ivanov, Evgenia P. Valcheva
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064706 (2023)
https://doi.org/10.1063/5.0133736
Published: February 2023
View articletitled, Modification of micro-crystalline graphite and carbon black by acetone, toluene, and phenol
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Includes: Supplementary data
Journal Articles

Theory of ultrafast x-ray scattering by molecules in the gas phase

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Mats Simmermacher, Andrés Moreno Carrascosa, Niels E. Henriksen, Klaus B. Møller, Adam Kirrander
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 174302 (2019)
https://doi.org/10.1063/1.5110040
Published: November 2019
View articletitled, Theory of ultrafast x-ray scattering by molecules in the gas phase
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Journal Articles

Sub-nanosecond secondary geminate recombination in mercury halides HgX2 (X = I, Br) investigated by time-resolved x-ray scattering

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Denis Leshchev, Dmitry Khakhulin, Gemma Newby, Hosung Ki, Hyotcherl Ihee, Michael Wulff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 054310 (2019)
https://doi.org/10.1063/1.5096422
Published: August 2019
View articletitled, Sub-nanosecond secondary geminate recombination in mercury halides HgX2 (X = I, Br) investigated by time-resolved x-ray scattering
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Includes: Supplementary data
Journal Articles

Radial distribution functions of water: Models vs experiments

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Gaia Camisasca, Harshad Pathak, Kjartan Thor Wikfeldt, Lars G. M. Pettersson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044502 (2019)
https://doi.org/10.1063/1.5100871
Published: July 2019
View articletitled, Radial distribution functions of water: Models vs experiments
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Includes: Supplementary data
Journal Articles

In situ x-ray diffraction study of polyamorphism in H2O under isothermal compression and decompression

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Guoyin Shen, Jesse S. Smith, Curtis Kenney-Benson, Richard A. Ferry
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 244201 (2019)
https://doi.org/10.1063/1.5100958
Published: June 2019
View articletitled, In situ x-ray diffraction study of polyamorphism in H2O under isothermal compression and decompression
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Journal Articles

Characterization of colloidal nanocrystal surface structure using small angle neutron scattering and efficient Bayesian parameter estimation

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Samuel W. Winslow, Wenbi Shcherbakov-Wu, Yun Liu, William A. Tisdale, James W. Swan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 244702 (2019)
https://doi.org/10.1063/1.5108904
Published: June 2019
View articletitled, Characterization of colloidal nanocrystal surface structure using small angle neutron scattering and efficient Bayesian parameter estimation
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Includes: Supplementary data
Journal Articles

Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids

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Thamires A. Lima, Zhixia Li, Madhusudan Tyagi, Mauro C. C. Ribeiro, Y Z
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 144506 (2019)
https://doi.org/10.1063/1.5081684
Published: April 2019
View articletitled, Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids
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Includes: Supplementary data
Journal Articles

Helium-hydrogen immiscibility at high pressures

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Yu Wang, Xiao Zhang, Shuqing Jiang, Zachary M. Geballe, Teerachote Pakornchote, Maddury Somayazulu, Vitali B. Prakapenka, Eran Greenberg, Alexander F. Goncharov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 114504 (2019)
https://doi.org/10.1063/1.5086270
Published: March 2019
View articletitled, Helium-hydrogen immiscibility at high pressures
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Includes: Supplementary data
Journal Articles

Pressure-induced local symmetry breaking upon liquid–liquid transition of GeI4 and SnI4

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Kazuhiro Fuchizaki, Takahiro Sakagami, Hiroshi Iwayama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 114501 (2019)
https://doi.org/10.1063/1.5061714
Published: March 2019
View articletitled, Pressure-induced local symmetry breaking upon liquid–liquid transition of GeI4 and SnI4
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Includes: Supplementary data
Journal Articles

Improving collective variables: The case of crystallization

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Yue-Yu Zhang, Haiyang Niu, GiovanniMaria Piccini, Dan Mendels, Michele Parrinello
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 094509 (2019)
https://doi.org/10.1063/1.5081040
Published: March 2019
View articletitled, Improving collective variables: The case of crystallization
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Journal Articles

Comment on “On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii” [J. Chem. Phys. 147, 161707 (2017)]

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Daniel Lundberg, Ingmar Persson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 097101 (2019)
https://doi.org/10.1063/1.5047135
Published: March 2019
View articletitled, Comment on “On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii” [J. Chem. Phys. 147, 161707 (2017)]
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Journal Articles

Response to “Comment on ‘On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii’” [J. Chem. Phys. 150 , 097101 (2019)]

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Riccardo Spezia, Valentina Migliorati, Paola D’Angelo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 097102 (2019)
https://doi.org/10.1063/1.5087193
Published: March 2019
View articletitled, Response to “Comment on ‘On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii’” [J. Chem. Phys. 150 , 097101 (2019)]
Open the PDF for Response to “Comment on ‘On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii’” [J. Chem. Phys. 150 , 097101 (2019)] in another window
Journal Articles

Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate

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Zunwu Zhou, R. Alan Aitken, Charlotte Cardinaud, Alexandra M. Z. Slawin, Honghao Wang, Adam M. Daly, Michael H. Palmer, Stephen G. Kukolich
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 094305 (2019)
https://doi.org/10.1063/1.5081683
Published: March 2019
View articletitled, Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate
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Includes: Supplementary data
Journal Articles

Structural and optical characterization of RbLaP4O12:Ln3+ (Ln3+ = Ce3+, Nd3+, Tm3+, or Yb3+)

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M. Stefanski, K. Grzeszkiewicz, M. Ptak, D. Hreniak, W. Strek
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 094706 (2019)
https://doi.org/10.1063/1.5085343
Published: March 2019
View articletitled, Structural and optical characterization of RbLaP4O12:Ln3+ (Ln3+ = Ce3+, Nd3+, Tm3+, or Yb3+)
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Includes: Supplementary data
Journal Articles

Kinetics of the γ – δ phase transition in energetic nitramine-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

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P. Bowlan, B. F. Henson, L. Smilowitz, V. I. Levitas, N. Suvorova, D. Oschwald
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064705 (2019)
https://doi.org/10.1063/1.5080010
Published: February 2019
View articletitled, Kinetics of the γ – δ phase transition in energetic nitramine-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
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Journal Articles

Phase separation of a ternary lipid vesicle including n-alkane: Rugged vesicle and bilayer flakes formed by separation between highly rigid and flexible domains

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Mafumi Hishida, Ryuta Yanagisawa, Yasuhisa Yamamura, Kazuya Saito
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064904 (2019)
https://doi.org/10.1063/1.5080177
Published: February 2019
View articletitled, Phase separation of a ternary lipid vesicle including n-alkane: Rugged vesicle and bilayer flakes formed by separation between highly rigid and flexible domains
Open the PDF for Phase separation of a ternary lipid vesicle including n-alkane: Rugged vesicle and bilayer flakes formed by separation between highly rigid and flexible domains in another window