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The Journal of Chemical Physics|March 3, 2016
Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulationsAïmen E Gheribi, Patrice Chartrand
The Journal of Chemical Physics|March 3, 2016
Analytical model for thermal boundary conductance and equilibrium thermal accommodation coefficient at solid/gas interfacesAshutosh Giri, Patrick E Hopkins
The Journal of Chemical Physics|March 3, 2016
Electromagnetic-field effects on structure and dynamics of amyloidogenic peptidesNevena Todorova, Alan Bentvelzen, Niall J English, et al.
The Journal of Chemical Physics|June 3, 2016
Modified Newton-Raphson GRAPE methods for optimal control of spin systemsD L Goodwin, Ilya Kuprov
The Journal of Chemical Physics|June 3, 2016
Analytical correlation functions for motion through diffusivity landscapesFelix Roosen-Runge, Dominique J Bicout, Jean-Louis Barrat
The Journal of Chemical Physics|June 3, 2016
Intermediate vibrational coordinate localization with harmonic coupling constraintsMagnus W D Hanson-Heine
The Journal of Chemical Physics|June 3, 2016
Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectraRomain Garnier, Marc Odunlami, Vincent Le Bris, et al.
The Journal of Chemical Physics|June 3, 2016
Accuracy and computational efficiency of real-time subspace propagation schemes for the time-dependent density functional theoryArthur Russakoff, Yonghui Li, Shenglai He, et al.
The Journal of Chemical Physics|June 3, 2016
Ion aggregation in high salt solutions. V. Graph entropy analyses of ion aggregate structure and water hydrogen bonding networkJun-Ho Choi, Minhaeng Cho
The Journal of Chemical Physics|June 3, 2016
Ab initio studies of the Rg-NO(+)(X(1)Σ(+)) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe)Cahit Orek, Jacek Kłos, François Lique, et al.
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