The way in which atoms and molecules define us as human beings, and how the complete synchrony of these atoms and molecules are essential for life intrigued me.

以何種方式原子和分子的定義我們?nèi)祟惣で樵谙咝∷凳悠担约叭绾螌@些原子和分子的完整同步是我生活中不可或缺的興趣亚洲怡红院久久精品综合。

Now let us syncopate the rhythm of the movement of our molecules and energy field to the rotation of the molecules of earth.

現(xiàn)在讓我們將分子及能量場運(yùn)動的節(jié)奏切分到地球分子的旋轉(zhuǎn)之中欧美黄色二区。

Other astronomers have detected these molecules before in interstellar space, but the researchers report in tomorrow's issue of Science that they have pinpointed the location of these molecules in AA Tauri's disk, which means they might have been manufactured there.

其他的天文學(xué)家們以前在星際空間發(fā)現(xiàn)過這些分子，但是研究人員們在明天的出版的《科學(xué)》雜志上報(bào)道說：他們找出了這些分子在" AA 托萊"圓盤中的具體位置国产精选午夜福利91在线，這意味著這些分子可能是就地形成的亚洲狼友视频网站。

The crystal belongs to triclinic, space group P-1 with α=0.775 1(2) nm, b=0.837 7(2) nm, c=1.003 7(2) nm,α=75.57(3),β=83.05(3),γ=86.08(3), D=1.296 g/cm^3, Z=2, F(000)=256,μ=0.095 mm^(-1), and the final deviation factor R=0.0545 and wR=0.146 0. X-ray analysis reveals that molecules are linked by intermolecular O-H…O hydrogen bonds formed between the adjacent molecules.

具體測定結(jié)果如下：該晶體屬于三料晶系，P-1空間群一级a在线看片，α=0.7751 (2) nm人人插人人摸人人插， b=0.8377 (2) nm， c=1.0037 (2) nm日本黄色片A三级三级三级，α=75.57 (3)尤物视频网址免费看，β=83.05 (3)，γ=86.08 (3)国产区露脸在线视频， D=1.296 g/立方公分韩国精品视频在线一区二区，Z=2， F(000)=256日韩清纯无码自拍视频网站，μ=0.095 mm^(-1)一级a片欧美在线视频，最終偏差因子分別為R=0.0545，wR=0.1460.X-射線衍射分析表明殴美特级黄片，分子之間通過相鄰分子間形成的O-H…O氫鍵相連91福利视频导航一区二区。

Interaction between vicinal supramolecules, distance of chiral centers between host and guest molecules and acetone molecule inclused are not important for the chiral recognition between host and guest molecules.

主客體之間手性中心距離的遠(yuǎn)近以及溶劑丙酮分子等因素，不是影響主客體之間的手性識別的關(guān)鍵因素欧美性爱精品影库。

When pH is 5 or so, molecules and ions of xanthate account for 50% respectively .While pH is above 5, the major effect is from ions, or from molecules.

離子的吸附作用是主要機(jī)制男人禁黄色视频，在pH值較大時效果顯著，但不能排除氫氧化物的沉淀作用欧美系列黄片黑人黑屌。

Meanwhile, several physicochemical descriptors of xanthone molecules were calculated by using quantum chemistry method. Among the physicochemical parameters, interaction energy, the logarithms of octanol-water partition coefficient and total energy of xanthone molecules were selected to investigate the separation mechanism and describe molecular recognition process between the xanthones and the CDs in CZE by means of quantitative structure-electromigration relationships.

同時，運(yùn)用量子化學(xué)計(jì)算了山酮分子的物化參數(shù)日韩一区二区精品久久，并選擇相互作用能国内外激情视频网、疏水常數(shù)(log P；其中P為正辛醇-水分配系數(shù))和山酮分子總能量作為分析結(jié)構(gòu)-電泳遷移定量關(guān)系的物化參數(shù)手机在线AⅤ片免费视频观看，用以研究分離機(jī)制及在毛細(xì)管區(qū)帶電泳分離中山酮類化合物與β-CD 和磺酸化β-CD間的分子識別過程久久精久久精久久精99。

The model includes one β-trypsin, two amylamine molecules, four sulfates, one calcium, and 135 water molecules.

結(jié)果表明，正戊胺于環(huán)已烷中和β-牛胰蛋白酶有強(qiáng)結(jié)合作用全免一级久久久久片，一個戊胺分子結(jié)合到酶活性中心人人大香草av淘宝av线路一；另一個結(jié)合在β-牛胰蛋白酶的表面，與也被結(jié)合的硫酸根形成氫鍵一级黄色夫妻生活a片在线免费观看。

As mentioned above, this dissertation can be divided into two parts. One is devoted to study the high resolution ro-vibrational spectra of some asymmetry top molecules, such as D〓O and DOCl. Another is about studying anharmonic force field and vibrational intensities of some symmetry top molecules by quantum chemistry method, such as SiHCl〓 and AsH〓.

因此本論文的工作以此為脈絡(luò)分為兩個部分亚洲免费一区在线，第一部分以D〓O和DOCl分子為體系，研究非對稱陀螺分子的高分辨振轉(zhuǎn)光譜欧美夫妻生活；第二部分以對稱陀螺SiHCl〓和AsH〓分子為體系99r热久久，用量子化學(xué)計(jì)算的方法研究了小分子的非諧性力場和振動光譜強(qiáng)度一本大道香蕉欧美精品69。

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.

本論文用AM1、MNDO欧美人与动牲性行为视频、MINDO/3（主要是AM1）和INDO/S-CI半經(jīng)驗(yàn)分子軌道方法對水楊酸衍生物系列——水楊酸精品日韩大片观看视频在线观看、水楊酸甲酯、水楊醛国产一级作爱A片免费视频、O-羥基乙酰苯酮久久人人摸人人搞、水楊酰胺和3-羥基吡啶酰胺（6種異構(gòu)體和2-3種陰離子）；2-（2'-羥基-5'-甲基苯基）苯并三〓唑（4種異構(gòu)體）日韩国产一区；2-（2'-羥基苯基）苯并咪唑（3種異構(gòu)體和3種陰離子）97欧美激情超碰一区二区；2，5-二間氮雜氧茚氫醌（3種異構(gòu)體）亚洲欧美日韩国产另类；2-（2'-羥基苯基）間〓雜硫茚（2種異構(gòu)體）和7-〓吲哚二體（2種異構(gòu)體）的激發(fā)態(tài)分子內(nèi)質(zhì)子轉(zhuǎn)移反應(yīng)在以下幾個方面進(jìn)行了較系統(tǒng)的理論研究：幾何構(gòu)型優(yōu)化和相對穩(wěn)定性及氫鍵能首先以水楊酸衍生物系列分子為例九一在线视屏，用AM1、MNDO和MINDO/3方法考察了5種分子（每種分子設(shè)計(jì)6種異構(gòu)體和2-3種陰離子）的基態(tài)幾何構(gòu)型優(yōu)化欧美日韩精品精品区，能量人人上人人操人人干、相對穩(wěn)定性和氫鍵能計(jì)算，通過和實(shí)驗(yàn)數(shù)據(jù)進(jìn)行比較毛片一区网站，AM1方法給出的優(yōu)化幾何構(gòu)型最新免费a电影网站、穩(wěn)定性次序、氫鍵能和O—H欧美大片在线免费观看。亚洲国产三级AV。。O氫鍵的0—0距離與實(shí)驗(yàn)數(shù)據(jù)吻合最好欧美性爱人人网，MNDO和MINDO/3方法優(yōu)化的C-C鍵長偏長自拍偷拍第二十页，C-O鍵和O-H鍵長偏短；對于C-N鍵長AV一本大道香蕉大在线不卡，MNDO和AM1優(yōu)化結(jié)果差別不大中国熟妇精品社区，而MINDO/3給出了過短的C-N鍵長，MNDO和MINDO/3方法給出的有些水楊酸衍生物分子（如水楊酸甲酯和水楊酰胺）異構(gòu)體的穩(wěn)定性次序和實(shí)驗(yàn)上推測的可存在異構(gòu)體結(jié)果不一致最新欧美性爱网址，MNDO和MINDO/3方法給出的氫鍵能偏低日韩一区二区三区免费A片，對其他體系的研究發(fā)現(xiàn)INDO方法常常不能得到質(zhì)子轉(zhuǎn)移產(chǎn)物的優(yōu)化幾何構(gòu)型，只能得到反應(yīng)物的優(yōu)化構(gòu)型免费精品国产自产拍在线观，并且估算的氫鍵能偏高最新夫妻精品自拍网站，大量的計(jì)算結(jié)果表明AM1方法對本論文研究的激發(fā)態(tài)分子內(nèi)質(zhì)子轉(zhuǎn)移反應(yīng)體系是適宜和可靠的。