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Journal Articles

The role of spin diffusion in endogenous metal ions DNP

Ilia B. Moroz, Daniel Jardón-Álvarez, Michal Leskes
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 024201 (2025)
https://doi.org/10.1063/5.0238111
Published: January 2025
View article titled, The role of spin diffusion in endogenous metal ions DNP
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Journal Articles

Slow global motions in biosolids studied by the deuteron stimulated echo NMR experiment

Alexey Krushelnitsky, Farhad Shahsavan, Günter Hempel, Nail Fatkullin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 185101 (2024)
https://doi.org/10.1063/5.0236042
Published: November 2024
View article titled, Slow global motions in biosolids studied by the deuteron stimulated echo NMR experiment
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Journal Articles

Density isobar of water and melting temperature of ice: Assessing common density functionals

Editor’s Pick
Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi, Georg Kresse
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 131102 (2024)
https://doi.org/10.1063/5.0227514
Published: October 2024
View article titled, Density isobar of water and melting temperature of ice: Assessing common density functionals
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Includes: Supplementary data
Journal Articles

Electric dipole polarizabilities and tune-out wavelengths for 23S1 and 33S1 states of Be2+

Fang-Fei Wu, Xiao-Qiu Qi, Ai-Xi Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134304 (2024)
https://doi.org/10.1063/5.0229060
Published: October 2024
View article titled, Electric dipole polarizabilities and tune-out wavelengths for 2<sup>3</sup><em>S</em><sub>1</sub> and 3<sup>3</sup><em>S</em><sub>1</sub> states of Be<sup>2+</sup>
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Journal Articles

3He adsorbed on molecular hydrogen surfaces

M. C. Gordillo, J. Boronat
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054705 (2024)
https://doi.org/10.1063/5.0218136
Published: August 2024
View article titled, <sup>3</sup>He adsorbed on molecular hydrogen surfaces
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Journal Articles

Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of 207Pb−

C. X. Song, S. T. Yan, M. Godefroid, J. Bieroń, P. Jönsson, G. Gaigalas, J. Ekman, X. M. Zhang, C. Y. Chen, C. G. Ning, R. Si
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214307 (2024)
https://doi.org/10.1063/5.0212299
Published: June 2024
View article titled, Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of <sup>207</sup>Pb<sup>−</sup>
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Journal Articles

The water bimodal inherent structure and the liquid–liquid transition as proposed by the experimental density data

Francesco Mallamace, Domenico Mallamace
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184501 (2024)
https://doi.org/10.1063/5.0203540
Published: May 2024
View article titled, The water bimodal inherent structure and the liquid–liquid transition as proposed by the experimental density data
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Journal Articles

Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks

Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi, Bernhard Schmiedmayer, Georg Kresse
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114107 (2024)
https://doi.org/10.1063/5.0197105
Published: March 2024
View article titled, Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks
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Journal Articles

The 103Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex

Harry Harbor-Collins, Mohamed Sabba, Gamal Moustafa, Bonifac Legrady, Murari Soundararajan, Markus Leutzsch, Malcolm H. Levitt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104307 (2023)
https://doi.org/10.1063/5.0165830
Published: September 2023
View article titled, The <sup>103</sup>Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex
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Includes: Supplementary data
Journal Articles

Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites

Jingying Wang, Baorui Mao, Zeev Valy Vardeny
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 091002 (2023)
https://doi.org/10.1063/5.0160032
Published: September 2023
View article titled, Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites
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Journal Articles

Improved semi-experimental equilibrium structure and high-level theoretical structures of ketene

Editor’s Pick
Houston H. Smith, Brian J. Esselman, Samuel A. Wood, John F. Stanton, R. Claude Woods, Robert J. McMahon
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244304 (2023)
https://doi.org/10.1063/5.0154770
Published: June 2023
View article titled, Improved semi-experimental equilibrium structure and high-level theoretical structures of ketene
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Includes: Supplementary data
Journal Articles

On the possible locus of the liquid–liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model

Jorge R. Espinosa, Jose Luis F. Abascal, Lucia F. Sedano, Eduardo Sanz, Carlos Vega
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204505 (2023)
https://doi.org/10.1063/5.0147345
Published: May 2023
View article titled, On the possible locus of the liquid–liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model
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Journal Articles

“Sounding” out crystal nuclei—A mathematical-physical and experimental investigation

Megan J. Povey, Rammile Ettelaie, Ken Lewtas, Andy Price, Xiaojun Lai, Fei Sheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 174501 (2023)
https://doi.org/10.1063/5.0139811
Published: May 2023