Titlebook: Electron Crystallography of Organic Molecules; John R. Fryer,Douglas L. Dorset Book 1991 Kluwer Academic Publishers 1991 crystal.crystallo

使乳化

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.