Molecular force field

Progress in molecular force field

分子力场进展

Simulation of computational chemistry has been an important tool , while simulation results depend on the quality of the molecular force field .

计算化学的模拟已经成为一个重要的工具，其模拟的结果很大程度上取决于所采用的分子力场的优劣。

The core of MM is molecular force field .

分子力学的核心是分子力场。

Studies on the Hydration of Adenine in Terms of Ab Initio and ABEEM / MM Fluctuating Charge Molecular Force Field

应用从头计算和ABEEM/MM浮动电荷分子力场研究腺嘌呤的水合作用

Close attention have also been paid to the derivation of quantum mechanical force field , the new trends in molecular force field as well as the importance and function of molecular potential energy .

分子力场的一般形式、分子力场参数的确定、几类常见的分子力场，并对量子力场的确定、分子力场发展的最新动态以及位能函数的重要性和作用进行了讨论。

The Optimization and Application of DELPHI Molecular Mechanics Force Field for Organic Conjugated System

DELPHI有机共轭体系MM力场的优化和应用

This dissertation focuses on molecular mechanics force field methods and their representative applications of material science .

本论文涉及分子力学力场（以下简称力场）方法及其模拟方法在材料科学中的应用。

MD is based on representing the energy of the protein as a function of its atomic coordinates by an empirical function , which is also known as molecular mechanics " force field " .

其出发点是依赖于原子坐标的经验能量函数，即分子力学力场。