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The Journal of Chemical Physics|February 16, 2021
Density functional theory and thermodynamics analysis of MAl12 Keggin substitution reactions: Insights into ion incorporation and experimental confirmationJennifer L Bjorklund, Mohammad Shohel, Joseph W Bennett, et al.The Journal of Chemical Physics|February 16, 2021
Automated fragmentation quantum mechanical calculation of 13C and 1H chemical shifts in molecular crystalsMan Shi, Xinsheng Jin, Zheng Wan, et al.The Journal of Chemical Physics|February 16, 2021
Infrared spectroscopy of RG-Co+(H2O) complexes (RG = Ar, Ne, He): The role of rare gas "tag" atomsJoshua H Marks, Evangelos Miliordos, Michael A DuncanThe Journal of Chemical Physics|February 16, 2021
Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the seriesJonas J Joos, Ivo Neefjes, Luis Seijo, et al.The Journal of Chemical Physics|February 16, 2021
Nonadiabatic phenomena in molecular vibrational polaritonsTamás Szidarovszky, Péter Badankó, Gábor J Halász, et al.The Journal of Chemical Physics|February 16, 2021
r2SCAN-3c: A "Swiss army knife" composite electronic-structure methodStefan Grimme, Andreas Hansen, Sebastian Ehlert, et al.The Journal of Chemical Physics|February 16, 2021
Energy exchange rate coefficients from vibrational inelastic O2(Σg-3) + O2(Σg-3) collisions on a new spin-averaged potential energy surfaceQizhen Hong, Quanhua Sun, Fernando Pirani, et al.The Journal of Chemical Physics|January 22, 2021
Predicting metal-metal interactions. I. The influence of strain on nanoparticle and metal adlayer stabilitiesVerena Streibel, Tej S Choksi, Frank Abild-PedersenThe Journal of Chemical Physics|January 22, 2021
The relation between molecular dynamics and configurational entropy in room temperature ionic liquids: Test of Adam-Gibbs modelS Cheng, M Musiał, Z Wojnarowska, et al.The Journal of Chemical Physics|January 22, 2021
Modeling of motional EPR spectra using hindered Brownian rotational diffusion and the stochastic Liouville equationJeremy Lehner, Stefan StollPageof 5,301