使乳化
发表于 2025-4-1 02:49:45
The Prediction of the Crystal Packing of Organic Molecules: Geometry and Intermolecular Potentialsssible. A procedure for the systematic analysis of the most likely spatial symmetries in three dimensional lattices is proposed, producing a number of possible crystal structures and, in favourable cases, after optimization of the packing potential energy, a completely ab initio crystal structure prediction.