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The Journal of Chemical Physics|December 13, 2022
A pragmatic protocol for determining charge transfer states of molecules at metal surfaces by constrained density functional theoryGang Meng, Bin JiangThe Journal of Chemical Physics|December 13, 2022
Emission spectral non-Markovianity in qubit-cavity systems in the ultrastrong coupling regimeChenyi Zhang, Minghong Yu, Yiying Yan, et al.The Journal of Chemical Physics|December 13, 2022
Reliable emulation of complex functionals by active learning with error controlXinyi Fang, Mengyang Gu, Jianzhong WuThe Journal of Chemical Physics|December 13, 2022
Femtosecond intramolecular rearrangement of the CH3NCS radical cationJacob Stamm, Shuai Li, Bethany Jochim, et al.The Journal of Chemical Physics|December 13, 2022
How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynesGenís Lleopart, Miquel Lopez-Suarez, Ibério de P R Moreira, et al.The Journal of Chemical Physics|December 13, 2022
A statistical investigation of the rate constants for the H+ + HD reaction at temperatures of astrophysical interestTomás González-Lezana, Pierre Hily-Blant, Alexandre FaureThe Journal of Chemical Physics|December 13, 2022
Disorder of excitons and trions in monolayer MoSe2Jue Wang, Christina Manolatou, Yusong Bai, et al.The Journal of Chemical Physics|July 1, 2022
The MD17 datasets from the perspective of datasets for gas-phase "small" molecule potentialsJoel M Bowman, Chen Qu, Riccardo Conte, et al.The Journal of Chemical Physics|July 1, 2022
Universal effective interactions of globular proteins close to liquid-liquid phase separation: Corresponding-states behavior reflected in the structure factorJan Hansen, Jannik N Pedersen, Jan Skov Pedersen, et al.The Journal of Chemical Physics|July 1, 2022
Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; n = 1-4)Demeter Tzeli, Sotiris S XantheasPageof 5,293