In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.

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Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

為了明確地考慮和處理分子中存在的化學鍵国产www.，以便能夠更好地描述體系中的電荷分布進而準確地描述分子體系中的有關(guān)物理化學性質(zhì)，尤其是與化學鍵有關(guān)的物理化學性質(zhì)A片线观视频费网址，我們在密度泛函理論和電負性均衡原理基礎(chǔ)上提出了原子-鍵電負性均衡模型日本电影黄色，原子-鍵電負性均衡模型的主要內(nèi)容是：(1)考慮到分子體系中存在各種化學鍵這個事實，將分子空間看成是由原子區(qū)和化學鍵區(qū)組成的黄色A片免费看，將分子的單電子密度表達成為分子中各組成原子的單電子密度和各化學鍵的單電子密度的加和日韩99自拍视频在线观看免费播放，從而得到了原子-鍵電負性均衡模型的基本方程：分子體系總能量〓和分子中原子電負性〓和化學鍵電負性〓表達式黄色短视频亚洲无码。

The main contents are:(1) The polarized laser Raman spectra of acetone, methyl alcohol, alcohol, ethylene glycol, formamide, acetonitrile, acetic acid, Chloroform, Methylene chloride, and Bromoform are measured in the experiment.(2) The depolarization ratio of Raman shift in the measured spectrum are

主要的結(jié)果有：得到了丙酮分子9條喇曼譜線AV无码小电影、甲醇分子5條喇曼譜線、乙醇分子9條喇曼譜線精品欧美日韩一区二区三区、乙二醇分子7條喇曼譜線国产AV日韩一二区、甲酰胺分子8條喇曼譜線中文无码网站、乙腈分子8條喇曼譜線、乙酸分子8條喇曼譜線

In such doing, this dissertation serves as a step stone for papers of its counterparts to come, and, more importantly, it proposes a strategic alternative to the realization of models for image processing. This dissertation consists of three major parts. In the first part, detailed discussions and delicate analyses of academic papers on Cellular Neural Network will be provided in the hope of helping us see the potentiality of Cellular Neural Network in the applications of image processing. I will focus on the aforementioned limitations on hardware compilation as well. In the second part, I will put forth "texture analysis" as one basic model of analysis when we apply Cellular Neural Network to image processing. In this so-called texture analysis, a useful "spatial feature" is especially drawn to help us overcome possible problems of more complicated Cellular Neural Network applications in image processing."Spatial feature" also serves as a well-functioning mechanism for technology of image identification. In the last part of this thesis, I will look into a case study, where Cellular Neural Network is applied to help de-screen document image. Using it as an example, we will see how algorithms of Cellular Neural Network may be of marvelous use in applications in document image processing, since it would reduce a great deal of calculation and computation when applied to software compilation, yet opens up unlimited possibilities for higher-speed hardware compilation of high-level image processing.

這篇論文主要可以分為三大部分：在第一部份里黄页在线观看的视频免费，我們會詳細地說明并討論在過去到現(xiàn)在大部分將分子類神經(jīng)網(wǎng)路應(yīng)用於影像處理的相關(guān)文獻及未來所有可能的發(fā)展和技術(shù)日韩三级亚洲三级，另外也將分子類神經(jīng)網(wǎng)路作一完整的介紹，除此之外免费观看在线无码一区，我們也會特別著重於分子類神經(jīng)網(wǎng)路在影像處理相關(guān)應(yīng)用理論的討論以及其硬體實現(xiàn)化的考量美国A片免费播放免费；在第二部分里，我們提出了一個將分子類神經(jīng)網(wǎng)路應(yīng)用於影像辨識處理的基礎(chǔ)分析—紋路分析精品国产精品网麻豆系列，這是由於紋路分析的復雜性和普遍性會使得分子類神經(jīng)網(wǎng)路於高階影像處理的應(yīng)用不會只局限在單一的影像處理技術(shù)婬乱A欧美大片，其中我們也提出了一個相當有用的空間特徵，此一特徵不但可以使復雜地高階影像處理能夠應(yīng)用分子類神經(jīng)網(wǎng)路欧美精品黄色视频，也為影像辨識技術(shù)提供了一個很好的辨識機制日韩精品芒果视频下载免费观看；在最后一部分里，我們也將文件影像分析做了一個完整的剖析在线免费视频网址，并以文件影像的去網(wǎng)點為例來說明在實際情況下的分子類神經(jīng)網(wǎng)路的應(yīng)用黄色A片网站在线观看，如此演算法的開發(fā)也為文件影像處理提供了更多實際的應(yīng)用，更考量了文件影像處理若以軟體實現(xiàn)時的計算量負荷日韩一区在线AⅤ，而對未來高階數(shù)位影像處理能夠以硬體實現(xiàn)來提高處理速度提供了無限的可能亚洲欧美xx。

It comprises following steps: dissolving cross linker, functional monomer, mode molecule and initiator into pore-generating agent, getting mixing solvent; hypersonic de-gassing the mixing solvent; venting nitrogen after even mixing, sealing at nitrogen condition or vacuum condition; proceeding polymerization reaction, employing heat initiation for molecule engram polymer; grinding got molecule engram polymer after polymerization, sifting and removing mode molecule with organic solvent, checking with high efficiency liquid chromatography- ultraviolet until there is no mode molecule; vacuum drying and getting final product.

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As the secondary generation host, CD have received considerable attention because of its particular characterization, and the studies on host-guest interaction based on CD had been transferred from the processes and mechanism of inclusion complex between a pair of host and guest to construction of functional supramolecular aggregates, then these will be useful in the design and preparation of molecular machine and molecular devices, such as molecular pinchers, molecular gears, molecular motors and molecular balances, etc.

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Specifically, itcontains 8 chapters.In chapter 1, the formation, structures, properties and the futureprospect of liposome were thoroughly reviewed;In chapter 2, the stibility and permeability of phopholipid -eleostericacid liposome were studied together with the effect of polymerizationof eleostearic acid. This membrane system was very sensitive to 〓,the effect of 〓 was clarified to increase the aggregation/fusion ofliposomes and made the permeability of mixed liposomes much higher;In chapter 3, two polymerizable conjugated diyne bolaamphiphiles were synthesized. They could form very stable mixed liposome, andthe diyne could be polymerized by UV light in bilayer liposomes, as aresult, the stability of mixed liposome against solvent or surfactantafter polymerization were enhanced. In chapter 4, two kinds of amphiphilic amino acids were synthesized andstable liposomes were formed therefrom After the condensationpolymerization of amino acid in bilayer liposomes, stable polypeptide liposomes were obtained, which had lower phase transition temperatureand higher permeability.In chapter 5, four kinds of glycolipids were synthesized and theiraggregation behavior in water was comparied. When incorporated intophospholipid bilayer membranes, they could increase the phase transitiontemperatures and inhibit the aggregation and fusion of mixedliposomesat lower temperature.In chapter 6 and 7, three kinds of steroidal bolaamphiphiles withdifferent chain lengths were synthesized. Incorporation of steroidalmoiety to the center of lipid bilayer membrane obviously increased themobility of lipid membrane and shifted Tc to lower temperature side incomparasion with cholesterol. The bolaamphiphile which was shorter thanthe hosted lipid bilayer membrane thickness influenced the lipid packingmore obviously.

全文共分8章：第一章對脂質(zhì)體的形成、結(jié)構(gòu)欧美日本一道本免费三区、性質(zhì)及展望進行了較為詳細的文獻綜述一级老黄片小视频小电影；第二章研究了磷脂-桐酸脂質(zhì)體的穩(wěn)定性，通透能力及桐酸的聚合對這些性質(zhì)的影響视频一区图片一区另类；磷脂-桐酸混合脂質(zhì)體為一類對〓靈敏的脂質(zhì)體黄色视频暴力免费版，〓的作用首先是使脂質(zhì)體集聚然后使脂質(zhì)體融合，并加速內(nèi)包熒光物的釋放黄色视频在线播放网站；第三章通過合成兩種可聚合共軛雙炔雙極性雙親分子DDCA高清在线午夜日韩视频观看，DDOL，研究了共雙炔分子在雙分子層脂質(zhì)體膜上的聚合及對脂質(zhì)體性質(zhì)的影響最新国产在线走光视频，聚合可以提高脂質(zhì)體相對于溶劑及表面活性劑的穩(wěn)定性欧美vs一级片；第四章合成了兩類氨基酸為極性基團的雙親分子，它們均可以在超聲下形成穩(wěn)定的脂質(zhì)體結(jié)構(gòu)A级片网站多少；氨基酸基團可以在脂質(zhì)體上進行縮聚反應(yīng)尤物在线无码视频观看网址，若聚合后脂質(zhì)體表面仍有足夠的親水能力，則可得到穩(wěn)定的多肽型脂質(zhì)體日韩国产一区；聚合后脂質(zhì)體的相變溫度降低欧美日韩国内，通透能力增加；第五章合成了四種親水基團為單糖基的雙親分子GL-l九九视频热播，GL-2国产亚洲精品ⅴa在线观看，GL-3， GL-4曰批全过程免费视频在线观看直播，研究了它們在水中的分散情況亚洲一区免费视频、集合體形態(tài)與分子結(jié)構(gòu)的關(guān)系；在DMPC雙分子層膜中加入糖脂分子可以使脂質(zhì)體的相變溫度提高欧洲A片网址，阻止脂質(zhì)體在低溫放置時的集聚與融合亚洲国产一区二区三区；第六章-第七章合成了三種不同碳鏈長度的雙極性含膽甾環(huán)雙親分子 CL-1，CL-2国产哟一区二区三区视频在线看，CL-3亚洲中文九九九；它們可以象膽固醇一樣與磷脂混合形成穩(wěn)定脂質(zhì)體自拍视频偷拍天堂，膽甾環(huán)基團位于脂質(zhì)體雙分子層膜的中間；與膽固醇的作用相反国产午夜精品理论免费视频，它們可以增加磷脂雙分子層膜的流動性，降低混合脂質(zhì)體的相變溫度国产操逼免费看；三種分子的作用與其碳鏈長度和磷脂雙分子層膜的厚度有關(guān)大路色视频，比膜厚度短的分子影響最大。

First, the significant of co-factor InsP6 and center water in the mechanism of auxins are explored by docking; second, the experiments that compared with the docking rusults of two situations involving fully rigid and selective flexible of active residue of the receptor TIR1 illuminate that selective flexibility docking by AutoDock4 reports more rational results, so that, AutoDock4 dockings are implemented with TIR1-Auxins; third, AutoDock4 docking by TIR1-Auxins-Aux/IAA illuminates that auxin as a molecular glue enhances the interaction between TIR1 receptor and Aux/IAA substrate by the weak interactions, such as hydrogen bond and hydrophobic interaction, furthermore, the weak interactions between receptor protein and ligands greatly influence on auxin activity of auxin ligands.

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The results of its fluorescence probe showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L,there existed some stable hydrophobic regions,which could interact with a hydrophobic reagent 8-anilino-1-naphthalene sulfonic acid,in the partially folded intermediate of Bacillus amyloliquefaciensα-amylase;with the denaturation concentration increasing,the stable hydrophobic regions disappered.the results of fluorescence quenching using acrylamide and potassium iodide as quenchers showed that using acrylamide as quenchers,with the protein denaturation extent increasing,the number of Trp that can be quenched increased untill all the Trp residues were quenched;Using potassium iodide as quenchers,with the maximum number(8) of tryptophan residues in a partially folded intermediate Bacillus amyloliquefaciensα-amylase molecule could be quenched by potassium iodide;with the denaturation concentration increasing,the number of Trp that can be quenched decreased to 5.the results of their protein electrophoreses and SEC showed that no aggregate or aggregate precipitation of Bacillus amyloliquefaciensα-amylase formed during the whole unfolding/refolding procedure of Bacillus amyloliquefaciensα-amylase induced by guanidine hydrochloride or urea.

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Therefore, the EL spectra of (Znq_2)_4 is wider than that of Znq_2. 4._2 was synthesized. The analysis of molecular spatial structure and the characterization of material performance of_2 and Liq showed that two Liq molecules and two Naq molecules were connected by Na-O-Na bond bridges to form_2. Compared with Liq,_2 exhibits stronger rigidity in planar molecular structure, larger steric hindrance and intermolecular distance, and much smaller molecular polarity, thus resulting in much longer fluorescence lifetime, much higher fluorescence quantum efficiency, wider energy bandgap and better film formability. When used as light-emitting layer in OLED,_2 shows lower formation probability of excited dimmer and exciplex formation than Liq, thus emits bluer light with higher current efficiency than Liq. When_2 ultrathin film is used as electron injection layer in OLED, it exhibits higher current density, higher luminance, lower turn-on voltage and higher current efficiency than Liq ultrathin film for the existence of sodium ions in_2 ultrathin film. 5. The summarization the relationship between molecular spatial structure and material performance of Alq_3,(Znq_2) and Liq, lead the conclusion that the molecular spatial structure of Mq_n affects its material performance in such aspects as the rigidity of planar molecular structure, intermolecular interaction, molecule stacking mode and intermolecular distance.

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Molecular Biophysics：分子生物物理學 分子生物物理學

molecular bionics 分子仿生學 | molecular biophysics 分子生物物理學 分子生物物理學 | molecular construct 分子構(gòu)想

molecular chaperone：伴侶分子, 分子伴侶

molecular bridge 分子橋 fēnzǐqiáo | molecular chaperone 伴侶分子, 分子伴侶 bànlǚfēnzǐ, | molecular cloning 分子克隆 fēnzǐkèlóng

molecular chaperone：分子侶伴,侶伴分子

molecular biology 分子生物學 | molecular chaperone 分子侶伴,侶伴分子 | molecular chaperoning 分子陪伴(作用)

molecular dispersoid：分子彌散體,分子色散體

molecular dispersivity 分子分散性 | molecular dispersoid 分子彌散體,分子色散體 | molecular distillation 分子蒸餾

molecular distillation：分子蒸餾 分子蒸餾

molecular connectivity index 分子連接性指標數(shù) 分子連接性指數(shù) | molecular distillation 分子蒸餾 分子蒸餾 | molecular dynamics 分子動力學 分子動力學

molecular spectrum：分子光譜

1822 年由法國物分子光譜(molecular spectrum) 分子內(nèi)部能量狀態(tài)發(fā)生躍變過程中所產(chǎn)生的光譜. 分子的內(nèi)部運動包括整個分子的轉(zhuǎn)動,各組份原子的核分子力(molecular force) 參見分子運動論. 分子量(molecular weight) 參見分子運動論.

molecularity：分子性;分子狀態(tài);分子作用

molecular分子的 | molecularity分子性;分子狀態(tài);分子作用 | moleculeelongation分子鏈伸展

molecular pharmacology：分子藥理學 分子藥理學

molecular orbital 分子軌域 分子軌道 | molecular pharmacology 分子藥理學 分子藥理學 | molecular refraction 分子折射度 分子折射度

molecular refractivity：分子折射差率,分子折射率

molecular refraction 分子折射,分子折射度 | molecular refractivity 分子折射差率,分子折射率 | molecular relaxation 分子弛豫

bimolecular：雙分子

例如雙分子(bimolecular)反應(yīng)的第一步,小部分分子經(jīng)碰撞呈振動激態(tài),絕大多數(shù)這些分子會再經(jīng)由碰撞回到基態(tài),放出能量. 但某些分子在釋放能量前,會以此振動能量打斷分子中較弱的局部鍵結(jié),進行單分子分解反應(yīng). 只要因碰撞激發(fā)的速率足夠大於斷鍵速率,