Improving density functional theory for crystal polymorph energetics
Taylor, Christopher R., Bygrave, Peter J., Hart, Judy N., Allan, Neil L., Manby, Frederick R.Volume:
14
Year:
2012
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/C2CP24090D
File:
PDF, 1.37 MB
english, 2012