原子与分子物理学报2012，Vol.29Issue(4)：565-570,6.DOI:10.3969/j.issn.1000-0364.2012.04.001
分子动力学模拟技术在尿嘧啶分子中的应用
The application of molecular dynamics in the uracil
摘要
Abstract
Under the (N, V, T) system, the position, speed, strength and direction of under stress and the changes of bond distance and bond angle of the evolution of each atom in uracil molecule are calculated by using the semiempirical molecular dynamics. The calculations come to the conclusions which are difficult or failed to be obtained on the microcosmic information of particles during the experiment because of the limit of today's technology. It is to provide the theoretical basis that will go a step further to know molecular inner dynamics.关键词
分子动力学模拟/半经验势/尿嘧啶Key words
molecular dynamics, semiempirical, uracil分类
数理科学引用本文复制引用
施仲诚,张丰收,房鸿..分子动力学模拟技术在尿嘧啶分子中的应用[J].原子与分子物理学报,2012,29(4):565-570,6.基金项目
中国自然科学基金(11025524) （11025524）
