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The Journal of Chemical Physics|January 30, 2026
Electron scattering on carbon monoxide: An optimization of target molecular orbitalsFan Fang, He Su, Jonathan Tennyson, et al.
The Journal of Chemical Physics|January 29, 2026
3D N and O co-doping hierarchical porous carbon with ultrahigh surface area as cathode material for high-performance zinc-ion hybrid capacitorYuxuan Wang, Yirun Zhu, Hang Liu, et al.
The Journal of Chemical Physics|February 6, 2026
(Dis-)appearance of liquid-liquid phase transitions in a heterogeneous activated patchy particle model and experimentFurio Surfaro, Peixuan Liang, Hadra Banks, et al.
The Journal of Chemical Physics|January 26, 2026
The quality of transition current densities derived from Gaussian basis setsChou-Hsun Yang, Yao-Wen Chang, Liang-Yan Hsu, et al.
The Journal of Chemical Physics|February 2, 2026
Non-equilibrium charge transport through molecular junctions as stochastic many-electron dynamicsLawrence Conrad, Beate Paulus, Jean Christophe Tremblay
The Journal of Chemical Physics|January 30, 2026
Ab initio characterization of C2H4N2 isomers: Structures, electronic energies, spectroscopic parameters, and formation pathwaysOko Emmanuel Godwin, Natalia Inostroza, Diego Mardones, et al.
The Journal of Chemical Physics|February 6, 2026
pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputersRyan Morelock, Soumendu Bagchi, Emil Briggs, et al.
The Journal of Chemical Physics|January 26, 2026
Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennaePiermarco Saraceno, Akhil Bhartiya, Joachim Seibt, et al.
The Journal of Chemical Physics|January 23, 2026
Supramolecular cooperativity through the lens of enhanced sampling molecular dynamicsA Cardellini, D Polino, C Perego
The Journal of Chemical Physics|January 23, 2026
2D self-assembly of phosphorus allotropes on Bi(111)Xiao-Tian Yang, Xing-Xing Dong, Ting-Ting Zhang, et al.
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