The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通過研究免费无码网站永久在线播放，獲得了三種情況下兩種反應(yīng)通道(分別對應(yīng)于順式-和反式-丙烯醛)中涉及的反應(yīng)物午夜免费看三级片、產(chǎn)物性爱AV大吊一线、中間體欧美美女A片一级、過渡態(tài)的優(yōu)化結(jié)構(gòu)及其能量，并由此得到了反應(yīng)的勢能面圖55色色网，在電子微觀層次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反應(yīng)的微觀過程爆插黄色。

These adjoint gradient systems share the same potential energy function and equilibrium points.

這些梯度系統(tǒng)共享一個勢能函數(shù)和相同的平衡點。

The first chapter gives the summary of basic theories of EOS for solids, including often-used thermodynamic theories and phenomenological expressions during the study progress of EOS along with the finite strain theory. Furthermore, from the view of solid-state theory the general expression of EOS of solids P =Pc+Pn is given, and the microcosmic mechanism of compression for solids, i.e., the interactive potential energy between atomics, is also analyzed, subsequently several different forms of cold energies and pressures are derived.

第一章性爱官网在线播放，給出了物態(tài)方程的基本理論概要古代AV，總結(jié)了EOS研究中最常用的熱力學(xué)理論和唯象關(guān)系式以及有限應(yīng)變理論，并從固體理論角度給出了固體物態(tài)方程的一般形式P =Pc+Pn日韩超碰经典在线，分析了固體壓縮的微觀機(jī)理——原子間相互作用勢欧美一区二区入口www，由此導(dǎo)出了幾種不同形式的冷能和冷壓。

Its as if the backswing is stretching something, building potential energy that wants to release and fly forward.

就好象后擺是在拉伸什么東西丁香五月婷婷久久HD，積聚了勢能欧美日韩A片免费观看，而想要釋放出來向前飛行。

The results show that the relationship betweentotal potential energy and time step exhibits periodic characteristic when sigma-3symmetric twist grain boundary model and sigma-3 tilt grain boundary model slide atOK. But for sigma-13 asymmetric tilt grain boundary, the relationship between totalpotential energy and time step exhibits damp surge characteristic.

結(jié)果發(fā)現(xiàn)久久综合精品5555，∑3對稱扭轉(zhuǎn)晶界模型與∑3對稱傾側(cè)晶界模型在0K滑動時在线看片黄a免欧美费，系統(tǒng)的勢能與計算步數(shù)之間的關(guān)系曲線呈現(xiàn)周期性變化的規(guī)律，而∑13非對稱傾側(cè)晶界模型系統(tǒng)的勢能與計算步數(shù)之間的關(guān)系卻呈現(xiàn)阻尼振蕩特征的變化規(guī)律色喲喲国产精品。

However, MM can also provide important dynamic parameters, such as energy barriers between different conformers or steepness of a potential energy surface around a local minimum.

但是 MM 也能提供重要的動力學(xué)數(shù)據(jù)黄色视频免费看不用下载，例如不同構(gòu)象之間的勢壘或者勢能面最小點附近的坡度。

From the potential energy profile, it can be predicted that, the dominant channel of this reaction consists of three steps: the two reactants first form a three-membered ring intermediate (INT1) through a barrier-free exothermic reaction of 19.2 kJ/mol; three-membered ring intermediate (INT1) isomerizes to a four-membered ring silylene(P2) via the transition state (TS2) with an energy barrier of 22.8 kJ/mol; four-membered ring silylene(P2) further reacts with ethene(R2) to form a silicic bis-heterocyclic compound (P3), which is also a barrier-free exothermic reaction of 132.2 kJ/mol.

用CCSD//MP2/6-31G*方法研究了單重態(tài)二甲基亞烷基硅烯與乙烯生成硅雜雙環(huán)化合物環(huán)加成反應(yīng)的機(jī)理欧美黄片免费看,性生活，根據(jù)該反應(yīng)的勢能面可以預(yù)言在线视频一区二区三区四区，該反應(yīng)的主反應(yīng)通道有三步組成：第一步是兩反應(yīng)物（R1， R2）首先生成了一三元環(huán)中間體（INT1）女人香蕉久久毛毛片精品，它是一無勢壘的放熱反應(yīng)九九无码视频，放出的能量為19.2 kJ/mol；第二步是三元環(huán)中間體(INT1)經(jīng)過渡態(tài)TS2異構(gòu)化為了四元環(huán)硅烯（P2）黄片强奸无码视频，其勢壘為22.8 kJ/mol真人抽搐一进一出gif免费404；第三步是四元環(huán)硅烯（P2）進(jìn)一步與乙烯(R2)反應(yīng)生成了硅雜雙環(huán)化合物（P3），該反應(yīng)也是一無勢壘的放熱反應(yīng)人人爱人人爽人人射，放出的能量為132.2 kJ/mol日韩欧美女自拍图片视频。

Takes off starts the instantaneous landing angle not to be unstable, creates this kind of phenomenon the reason is because athletes leg department strength is bad, easy to cause to take off the leg cushion scope oversized, the cause horizontal kinetic energy cannot the very good transformation for take off the leg extensor elastic potential energy.

同時在起跳開始瞬間著地角不穩(wěn)定，這是由于運動員的腿部力量較差所引起的欧美老妇乱人伦人妻TEx，容易導(dǎo)致起跳腿緩沖幅度過大性爱操逼片，致使水平動能不能很好的轉(zhuǎn)化為起跳腿的伸肌的彈性勢能。

Multiple-paths hydrogen abstraction reactions of fluorine -with CH_3OH have been investigated at the MP2/6-311 ++ g level. The potential energy surfaces for H-abstraction reaction from carbon atom and oxygen atom were given respectively. The results indicate that there is only one minimum energy path for hydrogen abstraction from carbon atom, while multiple paths were found for hydrogen abstraction from oxygen atom. All the stationary structures, frequencies as well as PES sketch of all channels were given, in which the dominant channel is by a five-member ring transition state. The calculated heat of reaction is 170.62 kj/mol for channel 1, 119.41 kJ/ mol for branch channel 6. The results are in good agreement with experimental data.

以MP2/6-311 ++g水平上詳細(xì)研究了氟原子與甲醇抽氫反應(yīng)的多通道反應(yīng)機(jī)理色噜噜久久十分无码夜福利，得到了各條通道中涉及的駐點的構(gòu)型和振動頻率及其能量国产操美女视频，給出了兩張完整的反應(yīng)勢能面，結(jié)果表明色播66，氟原子從C原子上抽氫時有一條明顯的最低能量通道，而從氧原子上抽氫時要涉及多條分支通道和多個駐點構(gòu)型，給出了各分支通道勢能面示意圖久久强奸网址，結(jié)果表明以形成五元環(huán)狀過渡態(tài)通道為優(yōu)勢通道www.婷婷丁香五月.com，計算得到經(jīng)途徑1生成CH_2OH時反應(yīng)放熱170.62kJ/mol，經(jīng)分支途徑6生成CH_3O自由基時反應(yīng)放熱119.4 kJ/mol国产美女一级牲交片在线观看，此結(jié)果與實驗值一致国产AV无码专区国产乱码。

In the technology of the mobile air conditioning room,the heat barrier is used to isolate work- ers from the hot environment and the cooling air is supplied for the mobile air-conditioning room by the turbine- typed air cooler whose cooling source and ventilating power come from cooling energy and potential energy stored in the water in constant temperature zone.

礦井移動空調(diào)室技術(shù)的實質(zhì)是利用熱幛將作業(yè)者與環(huán)境隔離，再用一種水輪機(jī)式空氣冷卻器向移動空調(diào)室內(nèi)供冷欧美性爱啊啊啊啊。水輪機(jī)式空氣冷卻器的冷源和通風(fēng)動力均來自礦井恒溫帶A级毛片不卡观看。通過實驗得知：環(huán)境溫度為32℃時，以1.6 m~3/h的速度供給水溫為18℃的冷水啟動空氣冷卻器10 min后色妞色视频一区二区三区，礦井移動空調(diào)室內(nèi)干球溫度可降至24℃97干综合在线；空氣冷卻器停止工作后30 min，礦井移動空調(diào)室內(nèi)的空氣溫度仍可維持在28℃以下