自由能

RNA结构预测研究起步较早，1981年由Zuker提出的最小自由能算法，经过二十多年的不断改进和发展，现已成为国际上最广泛使用的RNA二级结构预测方法。

Early in 1981 , Zuker proposed free energy minimization algorithms and with more than 20 years improvements it has been the most widely used method to predict RNA secondary structure . However , this method cannot meet the higher requests for current RNA structure prediction day by day .

吉布斯自由能，等于H减去。

And the Gibbs free energy , TS you can write it as H minus TS.

液滴在固体水平面上的相对界面自由能曲线Young；氏方程的导出

The relative interfacial free energy curve of a liquid drop on a horizontal solid plate and derivation of young 's equation

土壤镉吸附的吉布斯自由能变ΔG°值可以用来预测土壤镉的解吸能力。

The Gibbs free energy change Δ G ° values can be used to predict the cadmium desorption capacity .

自由能（ΔG）随温度升高而呈下降趋势说明此过程是自发过程。

A decrease of Gibbs free energy (Δ G ) with temperature increase also indicated the spontaneous nature of the process .

电动势法测定Na2SnO3的生成自由能

Free energy of formation of na_2sno_3 by EMF measurement using β - alumina solid electrolyte cell

迭代最小二乘回归方法估算蒙脱石标准生成Gibbs自由能ΔGf~0的研究

Evaluation of standard Gibbs free energy for montmorillonite formation by iterative least square regression method

Mg2Si，Mg2Pb及Mg2Sn的生成自由能

Free energies of formation of mg_2si , mg_2pb and mg_2sn

D组引物扩增区段的RNA模板最小自由能的绝对值最低，B组的最高，与PCR扩增效率相关。

The lower an absolute value of the minimum free energy of the amplified region was , the higher the efficiency of PCR amplification was .

根据以上公式ΔG（bind）近似相当于抑制剂从水环境到蛋白环境的自由能变化。

In the case , △ Gbind approximately equals to the free energy change of inhibitor from water environment to protein environment .

高亏格Riemann面上的世界面孤子与自由能

The World Sheet Soliton and free energy on High Genus Riemann Surface

并结合最小自由能预测含伪结的RNA二级结构。

Then the thesis combines the model of improved stacking covariance with minimum free energy to predict RNA secondary structures with pseudoknots .

化学反应的自发趋向和反应所能迟到的限度与反应体系的自由能函数ΔG值的大小有关。

The spontaneous trend of a chemical reaction and the reacting limit are connected with the function value Δ G of free energy in the reaction system .

溶液效应中非极性部分对自由能的贡献则通过分子表面积（SA）计算得到。

And the nonpolar solvation energy is often obtained from the solvent - accessible surface area ( SA ) .

采用零蠕变法测量Si（111）单晶片上沉积的TiAlAl多层膜界面自由能。

Interfacial free energy of TiAl / Al multilayer thin film on Si ( 111 ) substrates was determined by zero creep method .

Tl（Ⅰ）从纯水到蔗糖及葡萄糖水溶液中的标准迁移吉布斯自由能

Standard Gibbs energies of transfer of Tl (ⅰ) ion from water to aqueous sucrose and glucose solutions

由低能量构象转化为高能量构象所需活化能为75.66kJ/mol.这一结果与动态NMR实验计算的71.48kJ/mol活化自由能数值相符。

This result agrees with the calculated value 71.48 kJ / mol of free energy of activation for the interconversion between the conformers .

与聚乙烯相比，GAP的总表面的自由能较高，这主要是因为GAP表面含有羟基和叠氮基团。

Compared with polyethylene as a standard sample , GAP has higher surface free energy because there are many hydroxyl groups and azide group in the surface of the GAP molecule .

综述了自由能这个经典判据在划分蛋白质结构域、预测RNA二级结构及蛋白质工程等中的应用。

Application of classical free energy criterion in the delineation of domains for a protein , predicting of RNA secondary structure and protein engineering is reviewed .

液态结构对Al-Cu熔体过剩自由能的影响

Effect of melt structure on the excess Gibbs free energy in Al-Cu alloy melt

用耦合反应的自由能变，计算了醋酸铵和酸式盐（例如，磷酸二氢钠和磷酸氢二钠）溶液的pH值。

The pH value of solution of ammonium acetate and acid salt ( e.g. sodium dihydrogen phosphate , disodium hydrogen phosphate ) has been calculated by free energy change of coupling reaction .

热力学分析表明，固溶了W、C原子的粘结相其氧化反应吉布斯自由能比WC氧化反应的吉布斯自由能要低，并随着氧化温度升高，两者差别变大。

The results of thermodynamics showed that the oxidation reaction Gibbs free energy of bonding phase soluted with W and C atoms was lower than that of WC phase .

通过标度变换使铁磁体的尺寸参数显现在自由能表达式和Brown方程中。

A scale transformation is introduced , so that the size of a ferromagnetic body appears explicitly as a parameter in the expressions of free energy and Brown 's equation .

然而，在水溶液中水解途径（A）所对应的自由能能垒变成最低，（A）和（B）为两条主要的水解反应途径。

However , for the reactions in aqueous solution , the free energy barrier calculated for pathway ( A ) becomes the lowest and the two main hydrolysis pathways are ( A ) and ( B ) .

外加强磁场提高了Si和Al-Si的自由能，相对降低了Si形核势垒和临界晶核半径，促进了初晶硅和共晶Al-Si组织细化。

It will decrease the potential barrier and critical grain radius comparatively . Magnetic field will induce the refinement of primary Si and eutectic Al-Si alloy .

阴离子型表面活性剂DSS也能与煤表面亲水性部分产生P型氢键吸附，其在煤表面吸附的自由能和平衡常数居中；

Anionic surfactant DSS can also adsorb at the hydrophilic zone of coal surface through P H-bond adsorption , however , gibbs free energy and equilibrium constant for DSS are moderate ;

通过自由能计算发现，固溶体的热力学稳定性随固溶Sn的增加出现增大的趋势。

Free energy calculations show that the thermodynamic stability of the solid solution increases with the increase of solid solution of Sn . 3 .

本文首先采用支持向量机方法（SVM）对基于DFT计算结果的180个有机小尺度、中型尺度分子自由能进行了校正。

Firstly , support vector machine ( SVM ) is adopted to correct 180 free energies of small or medium organic molecules based on DFT calculations .

用在brick模型基础上发展起来的membrane模型，计算了缘于任意自旋场的非静态黑洞&Vaidya黑洞的自由能和熵。

Using the membrane model which is based on brick-wall model , we calculated the free energy and entropy of non-static black hole , Vaidya black hole , due to arbitrary spin fields .

不同磷水平对锌浓度的改变值（△Zn）、活度比（AR）和交换自由能（△G）均没有显著影响，而这些指标的显著变化是由于不同锌水平的差异引起的。

Different levels of P had no significant effects on △ Zn , AR , and △ G in the soils . Their changes were due to different levels of Zn .