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The Journal of Chemical Physics|May 2, 2016
Polarization charge: Theory and applications to aqueous interfacesBobo Shi, Mithila V Agnihotri, Si-Han Chen, et al.
The Journal of Chemical Physics|May 2, 2016
Chromatic annuli formation and sample oxidation on copper thin films by femtosecond laserShutong He, Salvatore Amoruso, Dongqing Pang, et al.
The Journal of Chemical Physics|May 2, 2016
Close packing of rods on spherical surfacesFrank Smallenburg, Hartmut Löwen
The Journal of Chemical Physics|March 17, 2016
Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact siteXiangjian Shen, Zhaojun Zhang, Dong H Zhang
The Journal of Chemical Physics|March 17, 2016
Guiding ab initio calculations by alchemical derivativesM to Baben, J O Achenbach, O A von Lilienfeld
The Journal of Chemical Physics|March 17, 2016
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposalEmmanuel Giner, Celestino Angeli
The Journal of Chemical Physics|March 17, 2016
Efficient estimators for likelihood ratio sensitivity indices of complex stochastic dynamicsGeorgios Arampatzis, Markos A Katsoulakis, Luc Rey-Bellet
The Journal of Chemical Physics|March 17, 2016
Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core statesMasayuki Ochi, Yoshiyuki Yamamoto, Ryotaro Arita, et al.
The Journal of Chemical Physics|March 17, 2016
Optimization of classical nonpolarizable force fields for OH(-) and H3O(+)Douwe Jan Bonthuis, Shavkat I Mamatkulov, Roland R Netz
The Journal of Chemical Physics|March 17, 2016
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phasesMarco Campetella, Enrico Bodo, Maria Montagna, et al.
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