质子的

In chapter 4,taking the CCSD results as references,the performances of five DFT(BHandHLYP,MPWB1K,B3LYP,B3PW91 and SVWN) and two WFT(HF and MP2) methods for describing relative conformer energies,vertical electron detachment energies,deprotonation energies,and proton affinities of 22 amino acids were determined.

第4章中以高精度的耦合簇方法的计算结果为基准，测试了五种密度泛函方法(BHandHLYP，MPWB1K，B3LYP，B3PW91和SVWN)和两种波函方法(HF和MP2)对描述22种氨基酸体系的构型相对能量，垂直电离能，质子化和去质子化能这四种能量性质的能力。

Because whether polymerization or not , graviton permanent carry most high speed v, the energy function E=mc2 had precise inspect and verify shows v=1.414c , c is velocity of light, and their kinetic energy is

质子既然是恒星辐射的引力子聚合而成，它在空间不能绝对静止而是具有"群速"，恒星在空间的"宇宙速度"是"群速"的最大值，在原子内部，质子之间的相对速度同样可能达到这一速度。

The non linear regression applied to relation of the proton change number of acid with the proton concentration may improve the precision of pKa determination.

它首先牵涉到有机酸在溶剂中的电离形式[1]，然后是电离平衡常数中活度系数的测定[2]，再者是非水质子溶剂或有机-水溶液中质子浓度的精确测定。

The reaction mechanism of thione-thiol tautomerism for 2,6-dithiopurine obtained from proton transfer has been investigated by DFT B3LYP method with 6-311＋G basis set. The reaction enthalpies, activation energies, activation free energies and the rate constants of tautomerism were obtained.

采用密度泛函B3LYP方法，在6-311＋G基组水平上对2，6-二巯基嘌呤质子转移引起的硫醇式与硫酮式互变异构反应进行了计算研究，获得了互变异构过程的反应焓、活化能、活化吉布斯自由能和质子转移反应的速率常数等性质。

Four peaks of acridinium of 2 showed pronounced upfield shifts due to the conversion of acridinium to acridane in 5 equiv of either F-(Figure 3b) or AcO-(Figure 3c).

对于与中心吡啶环相邻的质子（ΔHa=1.48ppm）以及相对于吡啶的氮的对位质子（（ΔHc=1.47ppm）观察到了最大的化学位移。

Three part of MEA were investigated and found that high protonic conductivity was conrresponding to thinner membrane.

对膜的组件的三个组成部分进行研究表明：质子交换膜厚度越薄，反应过程中产生质子经过膜的传递阻力越小。

Starting from a theoretical description of its innards, physicists precisely calculated the mass of the proton and other particles made of quarks and gluons.

物理学家从对质子内部结构的一个理论描述出发，精确计算出了质子和其它一些由夸克和胶子构成的粒子的质量。

Three different mechanisms and the solvent effect of the electron transfer reaction between indol moiety and phenol moiety of the model system corresponding to the dipeptide of tryptophan and tyrosine have been studied by energy calculations.

对三种机理的理论研究探明了不同去质子化机理对电子转移的控制作用，并阐明了溶剂效应引起多步反应机制和双去质子化反应机制的合理性。

In the paper, concentration of major and trace elements of white-and-blue porcelain of Hutian kiln in Ming Dynasty were analyzed by PIXE, and elemental distributions of porcelain were analyzed by SPM.

本工作采用质子激发X射线发射分析方法研究了江西湖田窑明代中晚期青花瓷的胎、釉和青花中主量、微量元素的含量，并用质子扫描微探针分析了青花瓷剖面的元素分布。

On the basis of the energy spectra of proton and ion, a new calculation of the differential fluxes of proton and ion with high energy is suggested by combining the intensity of the neutron measured by OULU neutron monitor.

从质子和重离子的能谱出发，结合OULU台站中子强度的数据，提出了由地面中子强度数据反演空间高能质子和重离子微分通量的新方法。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。