Two-Point Boundary Value Problems for Curves:The Case of Minimum Free Energy Paths~1

机译：曲线两点边值问题：最小自由能路径的情况〜1

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

Because free energy is defined in terms of energy by an averaging process, we discuss minimum energy paths and the practicalities of computing averages before discussing minimum free energy paths.

机译：由于通过平均过程在能量方面定义了自由能，我们讨论了最小能源路径和计算平均值的实用性，并且在讨论最小的自由能路径之前。

著录项

来源
《International Conference on Numerical Analysis and Applied Mathematics》|2009年||共3页
会议地点
作者
Robert D. Skeel;
展开▼
作者单位

展开▼
会议组织
原文格式 PDF
正文语种
中图分类数值分析;
关键词
Value; Case; Energy;

机译：价值;案例;能量;

相似文献

外文文献
中文文献
专利

1. The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path [J] . Josep Maria Bofill, Wolfgang Quapp Theoretical chemistry accounts . 2016,第1期

机译：最平缓的上升动力学的变化性质以及曲线的变化最小值与最小能量路径的关系
2. Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method [J] . Xiancheng Zeng, Hao Hu, Xiangqian Hu, The Journal of Chemical Physics . 2009,第16期

机译：从头算量子力学/分子力学最小自由能路径法计算溶液氧化还原自由能
3. Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method [J] . Xiancheng Zeng, Hao Hu, Xiangqian Hu, The Journal of Chemical Physics . 2009,第16期

机译：从头算量子力学/分子力学最小自由能路径法计算溶液氧化还原自由能
4. Two-Point Boundary Value Problems for Curves:The Case of Minimum Free Energy Paths~1 [C] . Robert D. Skeel International Conference on Numerical Analysis and Applied Mathematics . 2009

机译：曲线两点边值问题：最小自由能路径的情况〜1
5. Minimum sample size needed to construct cushion curves based on the stress-energy method. [D] . Marcondes, Patricia Dione Guerra. 2007

机译：根据应力能量法构造缓冲曲线所需的最小样本量。
6. Calculating solution redox free energies with ab initio quantum mechanical∕molecular mechanical minimum free energy path method [O] . Xiancheng Zeng, Hao Hu, Xiangqian Hu, -1

机译：从头算量子力学-分子力学最小自由能路径法计算溶液氧化还原自由能
7. The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path [O] . Josep Maria Bofill, Wolfgang Quapp 2015

机译：温柔上升动力学的变分性和曲线的变分的关系和最小能量路径的关系

Two-Point Boundary Value Problems for Curves:The Case of Minimum Free Energy Paths~1

摘要

著录项

相似文献

相关主题

期刊订阅