| Literature DB >> 11607635 |
R J Wawak1, K D Gibson, A Liwo, H A Scheraga.
Abstract
The diffusion equation method of global minimization is applied to compute the crystal structure of S6, with no a priori knowledge about the system. The experimental lattice parameters and positions and orientations of the molecules in the unit cell are predicted correctly.Year: 1996 PMID： 11607635 PMCID： PMC39851 DOI： 10.1073/pnas.93.5.1743
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN： 0027-8424 Impact factor: 11.205