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The Journal of Chemical Physics|June 17, 2025
Quantum alternating operator ansatz for the preparation and detection of long-lived singlet states in NMRPratham Hullamballi, Vishal Varma, T S Mahesh
The Journal of Chemical Physics|June 16, 2025
Proposal of a reaction mechanism for the thermal carbonation of ethylene oxide by CO2 in ionic liquidsJosé Muñoz-Espinoza, Carlos Cárdenas, Renato Contreras
The Journal of Chemical Physics|June 9, 2025
Gauss-Legendre-spherical-t (GLST) cubature-based factorization of long-range electrostatics in simulationsWonmuk Hwang, James E Gonzales, Bernard R Brooks
The Journal of Chemical Physics|May 12, 2025
The trimer paradox: The effect of stiff constraints on equilibrium distributions in overdamped dynamicsRadost Waszkiewicz, Maciej Lisicki
The Journal of Chemical Physics|May 8, 2025
Nanoscale surface effects on heterogeneous vapor bubble nucleationP Sullivan, D Dockar, R Pillai
The Journal of Chemical Physics|May 8, 2025
You reap what you sow: On the impact of nuclei morphology on seeded molecular dynamics simulationsKatarina E Blow, Gabriele C Sosso, David Quigley
The Journal of Chemical Physics|May 8, 2025
Theoretical investigation of vibrational energy transfer of water at the gas/liquid interface around 3400 cm-1Ren-Hui Zheng, Wen-Mei Wei
The Journal of Chemical Physics|May 8, 2025
Ab initio phase diagrams of binary alloys in the low solute concentration limitShambhu Bhandari Sharma, Shailesh Mehta, Dario Alfè
The Journal of Chemical Physics|May 8, 2025
GPU acceleration of hybrid functional calculations in the SPARC electronic structure codeXin Jing, Abhiraj Sharma, John E Pask, et al.
The Journal of Chemical Physics|May 9, 2025
Overcoming experimental obstacles in two-dimensional spectroscopy of a single moleculeSanchayeeta Jana, Simon Durst, Lucas Ludwig, et al.
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