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Journal of Computational Chemistry|July 8, 2010

Parallel implementation of Γ-point pseudopotential plane-wave DFT with exact exchangeEric J Bylaska, Kiril Tsemekhman, Scott B Baden, et al.

The Journal of Chemical Physics|May 27, 2010

Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulationsEmilie Cauët, Stuart Bogatko, John H Weare, et al.

The Journal of Physical Chemistry Letters|August 22, 2015

Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal IonsJohn L Fulton, Eric J Bylaska, Stuart Bogatko, et al.

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Showing results (11-20 of 13) with videos related to

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You have reached the last page of results.This site can display upto 13 results.

Journal of Computational Chemistry|July 8, 2010

Parallel implementation of Γ-point pseudopotential plane-wave DFT with exact exchangeEric J Bylaska, Kiril Tsemekhman, Scott B Baden, et al.

The Journal of Chemical Physics|May 27, 2010

Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulationsEmilie Cauët, Stuart Bogatko, John H Weare, et al.

The Journal of Physical Chemistry Letters|August 22, 2015

Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal IonsJohn L Fulton, Eric J Bylaska, Stuart Bogatko, et al.

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