您要查找的是不是：
- Free energy calculation is a challenge problem in MD. 现在有不少方法。比如热力学积分法。
- Moreover, it shows that the method of ionic salvation free energies calculation could be used to abstractly qualitatively select the proper salt used for the extraction with salt. 采用标准摩尔溶剂化自由能的计算值可从理论上定性选择适宜的盐类作为萃取剂。
- The Absolute Free Energy Calculation of The Protein and Polar Ligand Complex 蛋白质与极性配体复合物的绝对结合自由能计算
- Molecular Dynamics Simulations and Free Energy Calculation on Glutamine-binding Protein 谷氨酰胺结合蛋白的分子动力学模拟和自由能计算
- The water stored behind a dam has free energy. 蓄在水闸内的水具有自由能。
- Surface Free Energy and Solid-Liquid Slippage. 界面自由能与滑移。
- Free energy calculation 自由能计算
- Keywords lead oxide;cerusite;xanthate;molecular structure;length of carbon chain;adsorption free energy calculation;inductive effect index of alkyl;group electronegativity;quantum chemical; 氧化铅;白铅矿;黄药;分子结构;吸附自由能烷基诱导效应;基团电负性;量子化学计算;
- The free energy increases monotonically with increasing radius. 自由能随半径的增大而单调地增加。
- The relationship between the minifying free energy and solubility product were studied for the calculation of the equilibrium of salt-water system. 从理论上研究在盐水溶解平衡计算中,自由能最小化法与溶度积法的关系,并比较两种计算方法,二者计算结果完全一致。
- Based on minimization of Gibbs free energy, a genetic algorithm (GA) was developed for the calculation of phase equilibria and stability in multiphase reaction systems. 摘要基于吉布斯自由能最小法原理，研究用遗传算法求解复杂化学体系的平衡问题。
- Based on minimization of Gibbs free energy,a genetic algorithm(GA) was developed for the calculation of phase equilibria and stability in multiphase reaction systems. 基于吉布斯自由能最小法原理,研究用遗传算法求解复杂化学体系的平衡问题。
- The method c an provide theoretical basis for structure design and energy calculation in gre enhouse. 该计算方法可以为温室结构设计及能量计算提供理论依据。
- A free energy level. 未被占据的能量极
- Comparing the result from the above-mentioned three basis sets, the basis set cc-PVTZ is the best suitable for the energy calculation of AlH. 通过对三个基组的计算结果与实验结果的比较,得到cc PVTZ基组是三个基组中最优基组的结论。
- In this paper,the steps of energy saving on convective drying process are analyzed based on the energy calculation equation. 本文根据对流干燥过程能量衡算方程式,对干燥过程的节能措施进行了理论分析。
- free energy calculations 结合自由能
- The thermostable mechanism of wildtype TC23O protein is studied by explicit solvent molecular dynamics simulation method and electrostatic energy calculation. 利用分子动力学模拟和静电分析的方法研究了蛋白质TC23O的热稳定机制。
- This quantity is positive with respect to the free energy of the bulk condensed phase. 对于主体凝结相的自由能来说，这个量是正的。
- The paper depicts the magnetic energy calculation for no load of hydrogenerator de excitation energy capacity calculation with linear and non linear resistor. 本文分析了空载水轮发电机磁场能量计算和空载误强励下,用线性电阻或非线性电阻灭磁时灭磁能容的计算。
