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Journal Articles
Experimental and theoretical study of highly excited states of the cesium dimer
Available to PurchaseB. A. Rowe, J. T. Stahovich, S. Magnier, V. B. Sovkov, A. B. Nikolov, S. Whang, A. D. Hersh, P. L. Wardach, J. D. Keen, A. M. Lyyra, E. H. Ahmed
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034309 (2025)
Published: July 2025
Journal Articles
Toward ab initio realizations of Collins’s conjecture
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034103 (2025)
Published: July 2025
Journal Articles
Yifan Tang, Gian Marcello Andolina, Alice Cuzzocrea, Matěj Mezera, P. Bernát Szabó, Zeno Schätzle, Frank Noé, Paolo A. Erdman
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034108 (2025)
Published: July 2025
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Critical role of dynamic structure on ion migration in H2V2O5 cathode material for rechargeable batteries
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034701 (2025)
Published: July 2025
Journal Articles
Journal Articles
A scalable machine learning multi-local regression framework for potential energy surface fitting across diverse chemical landscapes
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024106 (2025)
Published: July 2025
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Magnetic properties and spin–spin interaction in nitrogen-doped fullerene nanostructures
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 014308 (2025)
Published: July 2025
Journal Articles
Accelerating the exploration of material space for hydride double perovskite superconductors under ambient pressure through machine learning
Available to PurchaseJiajun Jiang, Yamin Xue, Zehui Xiong, Shunwei Yao, Zebang Cheng, Wenjing Hu, Duoduo Zhang, Guoliang Zhang, Renjie Zhu, Liliang Zha, Ziqiu Wang, Lin Peng, Tingting Shi, Yufeng Zhang, Jing Chen, Xiaolin Liu, Jia Lin
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 014705 (2025)
Published: July 2025
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Synthesis, crystal structure, and physical properties of ThRuSn with a distorted kagome structure
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 014701 (2025)
Published: July 2025
Journal Articles
Extending Badger’s rule. II. The relationship between energy and vibrational spectra in hydrogen bonds
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 244121 (2025)
Published: June 2025
Journal Articles
Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 244110 (2025)
Published: June 2025
Journal Articles
Journal Articles
Amélie Godard Palluet, Richard Dawes, Ernesto Quintas-Sánchez, Adrian Batista-Planas, François Lique
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 241101 (2025)
Published: June 2025
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Nanocrystal BaTiO3: Pressure-induced transformation from mixed ionic–electronic to pure electronic cyclic conduction
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 244201 (2025)
Published: June 2025
Journal Articles
Journal Articles
Tunable layer-specific polarizability in twisted multilayer graphene flakes capped with hexagonal boron nitride
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234706 (2025)
Published: June 2025
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Dynamic buckling of Si tetramers on the Si(111)-7 × 7 surface
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234704 (2025)
Published: June 2025
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Finetuning laser-pulse frequencies for optimizing information content of femtosecond nonlinear spectroscopy: Ab initio simulations
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234105 (2025)
Published: June 2025
Journal Articles
A combined statistical mechanical and ab initio approach to understanding H2O/CO2 co-adsorption in mmen-Mg2(dobpdc)
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234701 (2025)
Published: June 2025
Journal Articles
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