‡ Center for Nanophase Materials Sciences and Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Bethel Valley Road, Oak Ridge, Tennessee 37831, United States § Department ...
‘Crystal structure prediction is, after years of hard work by many, many groups, finally reaching the point where it’s going to have large impacts in organic materials.’ So says Gregory Beran, at the ...
Abstract: Subtle structural differences and comparable lattice energies have resulted in controversial discussions on the relative stabilities, mechanical properties and further comparisons between ...
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