首页 | 本学科首页   官方微博 | 高级检索  
     检索      


New algorithms to look for the most stable conformations of a molecule
Authors:R Fusco  L Caccianotti  C Tosi
Institution:(1) Istituto Guido Donegani, Via G. Fauser 4, 28100 Novara, Italia
Abstract:Summary Some new algorithms useful for the study of the ≪low-energy conformational space≫ of a molecule are described, and in particular an algorithm which detects the most stable conformations through a random sampling of the energy hypersurface. An application of this algorithm to ethylmethylphosphate (a model molecule of the chain segment of nucleic acids between two furanose rings) is also shown. Presented in part at the Fourth Annual Montedison Chemistry Meeting (Milan, March 4, 1986).
Keywords:General mathematical and computational developments
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号