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Chemistry (Weinheim an Der Bergstrasse, Germany)|January 15, 2013
The aqueous Ca2+ system, in comparison with Zn2+, Fe3+, and Al3+: an ab initio molecular dynamics studyStuart Bogatko, Emilie Cauët, Eric Bylaska, et al.The Journal of Chemical Physics|October 4, 2018
Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous NaM Galib, G K Schenter, C J Mundy, et al.The Journal of Physical Chemistry. A|April 20, 2011
Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studiesRaymond Atta-Fynn, Eric J Bylaska, Gregory K Schenter, et al.The Journal of Physical Chemistry. A|March 6, 2009
Self-consistent polarization density functional theory: application to argonKatie A Maerzke, Garold Murdachaew, Christopher J Mundy, et al.Journal of Chemical Theory and Computation|July 17, 2025
Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process RegressionChenghao Zhang, Amke Nimmrich, Britta A Johnson, et al.Journal of the American Chemical Society|January 22, 2009
The oil-water interface: mapping the solvation potentialRichard C Bell, Kai Wu, Martin J Iedema, et al.Chemical Communications (Cambridge, England)|October 14, 2010
The diammoniate of diborane: crystal structure and hydrogen releaseMark Bowden, David J Heldebrant, Abhi Karkamkar, et al.Physical Review Letters|June 1, 2004
Helium diffusion through H2O and D2O amorphous ice: observation of a lattice inverse isotope effectJohn L Daschbach, Gregory K Schenter, Patrick Ayotte, et al.Physical Review. E|September 18, 2020
Correlation function approach for diffusion in confined geometriesBruce J Palmer, Jaehun Chun, Jeffrey F Morris, et al.The Journal of Physical Chemistry. B|April 1, 2011
Understanding the surface potential of waterShawn M Kathmann, I-Feng William Kuo, Christopher J Mundy, et al.Pageof 13