Crystal structure predictions using five space groups with two independent molecules. The case of small organic acids

von Van Eijck, Bouke P
Veröffentlicht in: Journal of computational chemistry (2002)

Upack program package for crystal structure prediction Force fields and crystal structure generation for small carbohydrate molecules

von van Eijck, Bouke P
Veröffentlicht in: Journal of computational chemistry (1999)