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The Journal of Chemical Physics|September 8, 2019
A force consistent method for electrostatic energy calculation in fluctuating charge modelGuanfu Duan, Changge Ji, John Z H Zhang
The Journal of Chemical Physics|September 8, 2019
Mass-independent Dunham analysis of the known electronic states of platinum sulfide, PtS, and analysis of the electronic field-shift effectJack C Harms, Leah C O'Brien, James J O'Brien
The Journal of Chemical Physics|September 8, 2019
Pushing the limits of the reaction-coordinate mappingLuis A Correa, Buqing Xu, Benjamin Morris, et al.
The Journal of Chemical Physics|September 8, 2019
Theoretical investigation of relaxation dynamics in the Au18(SH)14 thiolate-protected gold nanoclusterRavithree D Senanayake, Christine M Aikens
The Journal of Chemical Physics|September 23, 2019
Including implicit solvation in the bond capacity polarization modelPier Paolo Poier, Frank Jensen
The Journal of Chemical Physics|September 23, 2019
Triple ionization of HCl via states with a 2p core holeJ H D Eland, R Feifel
The Journal of Chemical Physics|September 23, 2019
Charge separated states of endohedral fullerene Li@C20Yi-Fan Yang, Evgeniy V Gromov, Lorenz S Cederbaum
The Journal of Chemical Physics|September 23, 2019
Energy window stochastic density functional theoryMing Chen, Roi Baer, Daniel Neuhauser, et al.
The Journal of Chemical Physics|September 23, 2019
Water wettability of graphene and graphite, optimization of solid-liquid interaction force fields, and insights from mean-field modelingBladimir Ramos-Alvarado
The Journal of Chemical Physics|September 23, 2019
Experimental validation of interpolation method for pair correlations in model crystalsEgor V Yakovlev, Manis Chaudhuri, Nikita P Kryuchkov, et al.
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