三键

The interactions among the three active sites---N3, 04 and 05 in the most stable conformer of glycine and the three mono-value cations--~ Li~ and Na~ are investigated at the R0B3P86/6-3 1 G* level. Their relative binding strength and the binding order are compared and analyzed when the same active site reacts with three different cations or the same cation reacts with three different active sites, respectively.

利用限制性的DFT方法和6-31G基组函数，考察了甘氨酸的最稳定构象中的三个活性位：N3、O4和O5与单价阳离子H~+、Li~+和Na~+相互作用的情况，比较分析了三活性位与同一阳离子相互作用时的相对强弱和同一活性位与三个不同阳离子作用时的成键顺序。

Through cyclic hydrogen bonding with motif formed by coordinated water molecules and coordinated hydroxyl groups of dhbd from adjacent tetranuclear units, these adjacent neighbors are connected to afford a 1D supramolecular chain along axis a, which is further extended via aromatic intercalations and other crystallization water molecules into a 3D structure with channels.

毗邻的四核单元通过配位H2O分子和配位羟基O原子形成的 R 22(8)型环形氢键桥的连接，沿a轴方向构建了四核单元交替相连的一维超分子链；链间籍苯环的π-π堆积作用和晶格水分子氢键链的连接进一步扩展为具有隧道的三维结构。

The monoamines are almost planar; one bond angle in each diamine and triamine is planar, other bond angles remain.

激发态单胺几乎呈平面状；对于双胺和三胺，一个氮原子键角度呈直线型，其它氮原子键角度几乎没有变化。

At last, Hartree-Fock and Density Functional Theory was used to calculate the Mulliken bond orders, HOMO and LUMO. The "principle of the smallest bond order" and the "principle of the easiest transition" were selected to judge the decomposition potential of the nitration products, and the results indicated trinitrotoluene would decompose easier than other product, and it was consistent with the experimental results.

最后，采用Hartree-Fock方法和密度泛函方法计算了各硝化反应中主要有机物的Mulliken键级、最高占有轨道能和最低空轨道能，采用&最小键级原理&和&最易跃迁原理&判断出三硝基甲苯最易分解，这与实验结果一致。

After keying in tel No. press * for three or four times . then ,show "p"or"w",input "p"or"w", then key in entension No. and press dial No.

在您键入总机号码后，连续按*键三次或四次，出现&p&或&w&触屏笔离开屏幕，输入&p&或&w&号，再键入分机号码并按拨号键。

Consequently we found two principal results in this investigation.(1) The crystal structures of molecular crystals formed from different chlorobenzoic acids and three kinds of organic bases showed that in addition to common hydrogen bondings, the weaker intermolecular interactions such as the C-H…O hydrogen bonding, the π-π stacking and electrostatic interaction play an important role in determining the packing modes of each molecular crystal.

在对双分子晶体结构的研究过程中，我们发现存在以下两条规律：（1）不同的氯苯甲酸与三种有机碱形成的双分子晶体的结构显示，除了常见的氢键作用外，弱的分子间相互作用，例如C-H…O类型的氢键、π—π相互作用、静电相互作用等对于不同分子堆积模式的形成也起到了很重要的作用。

Other options press the right arrow key during the regular preview display to select any of these options feather icon description self clock photo taken after a 10 second delay when the shutter button is pressed.with the camera mounted on a tripod,this can help prebent blur caused by jarring the camera when the shutter button is pressed.to take a photo at the exact time you wish and also reduce camera shake ,plug the included remore shutter button cable into the jack on the rear of the camera pod and use it instead of the shutter button on the camera swquence multiple frames 3frames are takenin rapid sequence when the shutter button is pressed video movie camera camera shoots a video clip when the shutter button is pressed ,with the resolution ,fuame rate and modedetermined by settings in the video size submenu under resolution in the main munu.the counter on the right side of the display indicated seconds.press the shutter button again to stop recordng press the right arrow key once more after the movie camera icon appears to return to normal still photo mode review display indications icon 1 battery indicator 2 file number 3 internal or sd card memory indicator 4 file type (JPH=still photo AVI=video file) 5 reviewmode indicator 6 video counter

其他选项按正确的箭头键在正规预览显示选择任何这样的选择羽毛图标的描述这张照片后自我时钟10秒延时当快门按钮是pressed.with相机三脚架上，这可以帮助prebent模糊图像造成突兀的快门按钮是pressed.to拍照的确切时间，你希望，也减少了相机抖动，塞了包括remore快门按钮电缆到杰克在后方的相机的小花数、荚果数和使用它，而不是在照相机快门按钮 swquence多帧序列是takenin时迅速3frames快门按钮被按下视频电影摄影机相机射视频剪辑当快门按钮按下时，这项决议，fuame率和模式(nurmal ro回路)由设置在视频大小子菜单中的主要munu.the决议计数器右侧的显示器显示seconds.press快门按钮停止recordng 按正确的箭头键后再一次电影摄像机图标似乎回到正常的还是照片模式回顾显示的指示图标， 1电池指示灯。 2档案号码 3内部或sd卡记忆文件存储位置指示器。 4文件类型(鼻咽喉科杂志==视频文件仍然照片的AVI)。 5评论模式指示器 6视频柜台

The positive peptide cleavage promoted by complex, CuⅡL and the negative response of CuⅡ/dien complex suggest the merely hydroxy pendant in complex have no ability to attack the peptide bond. The synergic carbonyl activation by metal coordination is essential for the cleavage of peptide bond promoted by CuⅡL.

比较相应铜配合物及二乙烯三胺铜配合物的切割性能，提示羟乙基侧臂单独难以实现相邻肽键的切割，高配位数金属中心对肽键羰基的活化与羟基的协同进攻是该类配合物切割多肽的可能机制。

Based on three hypotheses, the single reaction model was used for the calculation of active energies during pyrolyzing of HBs (except OH-π) in coal for the first time, and the values agreed well with those obtained with other methods.

在三条假设的基础上，采用单一反应模型的理论，研究了煤中除OH-π以外的其它氢键热分解的活化能，通过该方法计算的氢键的热解活化能与通过其它途径得到的值接近

Increased. In addition, the life of light can also make the blood of unsaturated fatty acid double bond or triple bond was cut, and saturated fatty acids is not easy to be oxidized lipid , a decrease of intravascular lipid deposition, so that the vessel wall smooth, thus reducing atherosclerosis, cataracts, such as cardiovascular disease or the occurrence of eye disease, health promotion plays a good efficacy.

此外，生命光线还可以使血液中不饱和脂肪酸的二重键或三重键被切断，饱和脂肪酸不容易再被氧化成血脂，减少了血管内脂质的沉积，使血管壁光滑，从而减少动脉硬化、白内障等心血管疾病或眼科疾病的发生，对人体健康起着良好的促进功效。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了