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Journal Articles
Adaptive excitation frequencies in simulations of resonance Raman spectra
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034118 (2025)
Published: July 2025
Journal Articles
Exploring the properties of light diatomic molecules in strong magnetic fields
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034115 (2025)
Published: July 2025
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
Quantification of the basis set error for molecules in strong magnetic fields and general orientation
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034308 (2025)
Published: July 2025
Journal Articles
Ab initio molecular dynamics investigation on Zr corrosion in aqueous environments: The effects of temperature, boric acid, and alloying element Nb
Available to PurchaseJun Zhang, Junqin Liang, Zhongcun Chen, Linfeng Gao, Yaolin Zhao, Yuqi Wang, Chenxi Yu, Yufei Wu, Haibin Mou, Xumou Chen
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034705 (2025)
Published: July 2025
Journal Articles
Construction of strongly orthogonal geminals and group functions with general spinorbitals
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034113 (2025)
Published: July 2025
Journal Articles
r2SCAN+rVV10+U parameterization for 3d transition metal sulfides for thermochemistry
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034707 (2025)
Published: July 2025
Journal Articles
Impact of the damping function in dispersion-corrected density functional theory on the properties of liquid water
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034101 (2025)
Published: July 2025
Journal Articles
Theoretical study on the effects of N-confused and substituted groups on ESIPT mechanism and photophysical properties of NCTPP derivatives
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034301 (2025)
Published: July 2025
Journal Articles
Toward ab initio realizations of Collins’s conjecture
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034103 (2025)
Published: July 2025
Journal Articles
Parameterized attenuated exchange for generalized TDHF@vW applications
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034102 (2025)
Published: July 2025
Journal Articles
Temperature-induced structural evolution in liquid Bi86.8Au13.2 alloy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034502 (2025)
Published: July 2025
Journal Articles
Journal Articles
The polarized-signal density matrix: A practical way to recover molecular frame information from isotropic samples
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024324 (2025)
Published: July 2025
Journal Articles
Parameter-free ionization model for atomic and molecular high-harmonic generation spectra using Gaussian basis sets
Available to PurchasePaul Anton Albrecht, Chiara Morassut, Emanuele Coccia, Tillmann Klamroth, Peter Saalfrank, Eleonora Luppi
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024135 (2025)
Published: July 2025
Journal Articles
Instabilities govern the low-frequency vibrational spectrum of amorphous solids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024512 (2025)
Published: July 2025
Journal Articles
Michael H. Palmer, Søren Vrønning Hoffmann, Nykola C. Jones, Marcello Coreno, Monica de Simone, Cesare Grazioli, R. Alan Aitken, Iain L. J. Patterson
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024323 (2025)
Published: July 2025
Journal Articles
Antisymmetry rules of response properties in certain chemical spaces
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024133 (2025)
Published: July 2025
Journal Articles
Benchmarking data efficiency in Δ-ML and multifidelity models for quantum chemistry
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024134 (2025)
Published: July 2025
Journal Articles
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