molecular mechanics

The Simulation of B-DNA through Molecular Mechanics in a PC

在微机上实现分子力学模拟B-DNA

Study of Phycocyanobilin and Glycine Using ab Initio and Monte-Carlo Based Molecular Mechanics

从头算结合基于分子力学的蒙特卡洛方法对藻蓝色素与氨基乙酸的研究

Molecular mechanics ( MM ) study on the surface adsorption energy

应用分子力学研究表面吸附能的可行性

Calculation for large molecule system by means of an iterative molecular mechanics method

一种计算大分子体系的迭代分子力学方法

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

Molecular Mechanics and Molecular Dynamics Simulation Studies of Interlayer Structure in Montmorillonites

蒙脱石层间结构的分子力学和分子动力学模拟研究

Whether the studies of the surface adsorption with the molecular mechanics is actually feasible ?

用分子力学来研究表面吸附究竟是否可行呢？

Application of Molecular Mechanics in study of the Sulfonation Reaction of Naphthalene Derivatives

取代萘磺化反应的分子力学研究

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。

The Studies of Three-Dimensional Solution Structure of Organic Compounds by Combination NMR Techniques with Molecular Mechanics

NMR和分子力学法研究溶液中有机分子结构

Molecular Mechanics Investigation of the Intra molecular Hydrogen Bond Stability of Bile Acids

胆汁酸分子内氢键稳定性的分子力学研究

Application of molecular mechanics in studying on flotation reagents interacting with minerals

分子力学在研究浮选药剂与矿物表面作用中的应用

Molecular mechanics analysis for the conformation characters of crown ethers

冠醚构象特征的分子力学分析

Soil water distribution in balance state is studied by using statistical methods , based on the theory of molecular mechanics .

从分子力学角度出发，用微观统计学的方法分析处于平衡状态时无结构土壤中水的力学特征。

Molecular mechanics study on chemical reaction of propane ammoxidation on surfaces of catalysts

应用分子力学研究丙烷在晶体上的氨氧化反应

First , the molecular mechanics and annealing kinetics simulation achieves the3 dimensional structure graphs .

首先采用分子力学、退火动力学模拟方法得到优化后三维结构图形；

Molecular mechanics simulation of swelling properties of montmorillonites

蒙脱石膨胀特性的分子力学模拟

Force Field Parameterization of N , N ' Two-center Three Electrons Bond in Molecular Mechanics

氮、氮双中心三电子键的分子力学力参数研究

Molecular mechanics and Quantum Chemistry Study on 1,2,3 ─ trisubstituted imidazolinium reduction

1，2，3－三取代的咪唑啉盐还原反应的分子力学及量子化学研究

Molecular mechanics force fields offer empirical but computationally efficient approximations to quantum-mechanical models .

分子力学力场为高精度的量子力学模型提供了半经验的有效的近似。

Studies of Chiral Discrimination of Diniconazole by Molecular Mechanics

三唑烯醇手性识别的分子力学研究

Molecular Mechanics Study on Conformation of Calixarenes

杯芳烃构象的分子力学研究

A molecular mechanics study of steric effect of substituents on Extraction of metals by acidic phosphorus esters

酸性磷化合物萃取金属反应中取代基空间效应的分子力学研究

A review with 44 references on the recent advance in molecular mechanics of polymer crazing was reported .

本文综述了近年来有关聚合物银纹化分子机理方面研究的进展情况。

Three-dimensional conformations of these molecules with minimum potential energies were obtained by using molecular mechanics and molecular dynamics .

利用分子力学法和分子动力学法对这些可能的分子结构进行了模拟计算，得到了全局能量最低的分子结构三维构象。

Determination of conformation of a r_f-maltose in solution by NMR and molecular mechanics calculations

2DNMR与分子力学计算研究带R＿F长链麦芽糖的溶液构象

Molecular Mechanics Studies of the Structure Effect of the ~ ( 17 ) O and ~ ( 33 ) S NMR Chemical Shifts

~（17）O，~（33）SNMR化学位移结构效应的分子力学研究

Molecular Mechanics Simulation of Recognition Identity of tRNA ~ ( His / GUG )

tRNA~（His/GUG）识别特性的分子力学模拟（英文）

Conformational Analysis of ( 1 → 3 ) - β - D-glucans by Molecular Mechanics

（1→3）-β-D-葡聚糖构象的理论分析

Molecular Mechanics Calculations on the Molecular Structure of Ba [ Co ( EDTA ) ] _2 · 6H_2O

Ba[Co（EDTA）]2·6H2O分子结构的分子力学研究