Two JCTC papers on CP2K

William Tao ywta... at gmail.com
Thu Mar 2 16:11:10 CET 2017


1. Raman Optical Activity Spectra from Density Functional Perturbation 
Theory and Density-Functional-Theory-Based Molecular Dynamics
http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00820

2. Dehydrogenation Free Energy of Co2+(aq) from Density Functional 
Theory-Based Molecular Dynamics
http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b01077

PS: not my papers :-)
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