质子的

Possible mechanisms and relative energetics for protonation of pyrrole and furan by H3O＋ and in the gas phase have been explored.

以H3O+和NH4+作为质子源，对吡咯和呋喃气相质子化过程的机理进行了计算研究。

With the increasing of proton concentration, number of proton transport increases at first and then decreases after a critical value.

随着质子浓度的增加，质子输送数随之增加，达一定值后又随之下降。

Additionally, with increasing available lodged proton concentration, number of proton transport approach an equilibrium value after increasing first.

此外，随链容纳质子数的增加，可运动质子数随之增加，达一定值后渐达平衡值。

Proton Exchange Membrane is one of the key components for proton exchange membrane fuel cells.

质子交换膜是质子交换膜燃料电池的关键材料之一。

Three kinds of BCRC No.51534, 10322 and 10675 would be selected and acted as an experimental sample of Escherichia coli. Results shows that Escherichia coli of No.51534 will appear better performance because the maximum of open circuit voltage, closed current and power density are 1.01V, 22mA and 1342mW/m2, respectively. Concerning the effect of culture time with respect to different phase type on the electricity performance of MFCs, the time points on the intersection between lag phase and logarithmic phase, the middle of point of stationary phase for growth curve of Escherichia coli would appear a good performance of MFCs. In addition, the BCRC No. 51534 Escherichia coli possessing a better performance of MFCs than others would be suggested and applied to further studying. Comparison with the performance of MFCs with respect to electron mediator under different mole number, result shows that electron mediator of methylene blue with 4.63mM would appear a better electricity performance of MFCs than others. Concerning the different material of proton exchange membrane with PTFE-Nafion, Nafion 211, 212 and 117 with respect to the performance of MFCs, result shows that the Nafion 117 applied in MFCs will have a better performance of MFCs than other cases. Finally, the effect of molar concentration on the performance of MFCs would be expected at the studied cases of 0.4M, 0.2M, 0.1M and 0.05M respectively for cathode oxidant, result shows that a good performance of MFCs will happen at the condition of 0.2M. Those observations will be useful to improvement of MFCs in the further study.

於上述电池系统条件下，进行大肠杆菌生长曲线、电子传递介质、质子交换膜、电极与阴极氧化剂对电池电性效能分析；选择编号10322、10675与51534之大肠杆菌为实验菌株，依定量培养之生长曲线取出代表不同时生长特性时期的培养时间，利用亚甲基蓝作为电子传递介质进行实验分析从所测得的电量进行分析，以编号51534之大肠杆菌的微生物燃料电池有最大的开路电压为1.01V及最大闭路电流为22mA；当极化曲线中电压为0.47V、电流为11.4 mA时有最大的功率密度为1342 mW/m2；加以负载有平均工作功率密度294 mW/m2；从生长曲线与电性效能来分析，得知生长曲线的迟滞期与对数期的转变点与静止期的中间点有最佳电性效能表现；对於加入不同莫耳数之电子传递介质methylene blue、neutral red与thionine之电池效能表现，则以加入4.63mM methylene blue电子传递介质的电池有较佳平均功率密度230 mW/m2；另对於质子交换膜PTFE-Nafion、Nafion 211、Nafion 212与Nafion 117之电池效能表现，以Nafion 117质子交换膜的电池有较佳平均功率密度340 mW/m2；对於分析加入不同莫耳数浓度0.4M、0.2M、0.1M与0.05M的阴极氧化剂之电池效能，则以0.2M的阴极氧化剂的电池可得到较佳平均功率密度429 mW/m2。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

We have measured the 〓for some proton rich nuclei at intermediate energies on RIBLL. A larger enhancementof 〓 for 〓 has been observed than for its neighbors. The anomalous enhancementin the difference factor d for 〓 compared to its neighboring nuclei and the longtail of the proton density distribution extracted from the measured 〓 support theassumption of the proton halo structure in 〓.

我们在RIBLL上实验测量了中能区一些丰质子核在〓靶上的核反应总截面，第一次从反应截面的角度观察到〓的〓有较大的反常增加，同时通过差异因子的分析及从实验数据中提取核子的密度分布得出〓的质子密度分布有很长的尾巴，即得到了〓具有质子晕结构的实验证据。

The quasi-perpendicular collisionless shock consists of foot, ramp and a series of overshoots and undershoots, after travelling back upstream for a short distance, the reflected protons gyrate back into the downstream where an temperature anisotropy is formed due to an anisotropy of velocity distribution, then excite Alfvén ion cyclotron waves and mirror waves that dissipate the kinetic energy into heat; At quasi-parallel collisionless shocks, the reflected protons can travel far upstream, and lead to the generation of ion beam instabilities which excite large-amplitude right-hand polarized ultralow-frequency resonant waves whose frequencies are are about〓 These waves are convected back downstream by solar wind and gradually merge to form the downstream state, in the meantime new waves are generated continuously in the upstream, this process where ULF waves are generated and merge into downstream state is cyclical.

准垂直无碰撞激波系由根部、斜坡区以及一系列的低冲和过插组成，被激波反射的质子向激波上游运动很短的距离就在回旋作用下再次向下游运动，和激波发生相互作用以后进入激波的下游，在激波的下游引起质子速度分布的各向异性，进而引起激波下游温度的各向异性，激发起Alfvén离子回旋波和镜波，将激波上游的动能耗散成激波下游的热能；在准平行无碰撞激波(θ〓＝10°)情况下，这部分质子能向激波上游运动很大一段距离，并在激波的上游激发起束流不稳定性，引起大振幅的低频波动。

In the device fabrication, first by the low implantation on the top of the device the isolation between elements in arrays is achieved, and then the deep implantation on the upper layer down to the active layer can provide the transverse current confinements in individual elements in arrays.

在四次质子注入制备VCSEL列阵器件的设计中，一方面通过对外延片上DBR反射镜的较浅的质子注入形成高电阻区域实现对列阵器件中的单元器件之间的隔离，另一方面通过再次的较深度的可以达到有源区上表面的质子注入形成高电阻区域实现对单元器件中注入电流的限制作用。

In the device fabrication, first by the low implantation on the top of the device the isolation between elements in arrays is achieved, and then the deep implantation on the upper layer down to the active layer can provide the transverse current confinements in individual elements in arrays. At the same time the thermal interaction between elements in arrays has also been studied.

在四次质子注中国科学院博十学位论文摘要入制备VCSEL列阵器件的设计中，一方面通过对外延片上DBR反射镜的较浅的质子注入形成高电阻区域实现对列阵器件中的单元器件之间的隔离，另一方面通过再次的较深度的可以达到有源区上表面的质子注入形成高电阻区域实现对单元器件中注入电流的限制作用c在对VCSEL列阵器件的设计中，对单元器件之间的热相互作用也进行了分析。

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。