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The Journal of Chemical Physics|April 8, 2025
Effects of electron transfer network topology on functioning of quantum cellular automata based on mixed-valence two-electron molecular squaresAndrew Palii, Valeria Belonovich, Denis Korchagin, et al.The Journal of Chemical Physics|April 8, 2025
Linear-scaling quadruple excitations in local pair natural orbital coupled-cluster theoryAndy Jiang, Henry F Schaefer, Justin M TurneyThe Journal of Chemical Physics|April 8, 2025
Coarse-grained simulation of water: A comparative study and overviewSanjeet Kumar Singh, Ali Noroozi, Armand SolderaThe Journal of Chemical Physics|April 8, 2025
Quantum calculation of the quasi-equilibrium constant involved in the formation of 49O3G Guillon, P HonvaultThe Journal of Chemical Physics|April 3, 2025
Martini 3 coarse-grained model of enzymes: Framework with validation by all-atom simulations and x-ray diffraction measurementsMason Hooten, N Sanjeeva Murthy, Nityananda Pal, et al.The Journal of Chemical Physics|April 3, 2025
Application of Nosé-Hoover dynamics for coarse-graining molecular systems: An evaluation of reproducibility in Lennard-Jones systemsToru Yamada, Yohei MorinishiThe Journal of Chemical Physics|April 8, 2025
Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamicsTao E Li, Xiaosong Li, Sharon Hammes-SchifferThe Journal of Chemical Physics|April 8, 2025
Directional control of singlet exciton diffusion in crystalline polythiophene filmsTaiki Takeyama, Yasuhiro Murata, Yasunari TamaiThe Journal of Chemical Physics|April 8, 2025
Double-layer capacitance peaks: Origins, ion dependence, and temperature effectsErfei Zhen, Yanxia Chen, Jun HuangThe Journal of Chemical Physics|April 8, 2025
Excited-state-specific Kohn-Sham formalism for the asymmetric Hubbard dimerPierre-François Loos, Sara GiarrussoPageof 5,308