势垒

Simply inferred the optical-rectification effect in the silicon, discovered the optical electric voltage aeolotropic rule through the experiment of observing the relation between the optical electric voltage and the light wave direction of polarization and the orientation of crystal changing when the Si/Al schottky barrier has been illuminated, and confirm the reason is that the existence of self-field destroy the crystal symmetry, produce second-order nonlinear optical-rectification effect, and the direct-current field which has been produced by the optical-rectification effect and the self-field affect mutually.

推导了硅中的光整流效应，并通过观测Si/Al肖特基势垒受光照时产生的光生电压与光波偏振方向和晶向的变化关系的实验，发现了光生电压的各向异性规律，并确定这是由于内建电场的存在使晶体对称性被破坏，产生二阶非线性效应的光整流，光整流产生的直流电场又与内建电场相互作用的结果。

The theoretical studies on a series of α-hydrogen shift reaction s between the alkylidene and alky-lidyne organometallic molybdenum complexes R3R4Mo(CHR1R2) and R3R4Mo(=CH2)(=CR1R2) were carried out with the density functional theory B3LYP method.

使用B3LYP方法研究了发生在有机钼化合物R3R4Mo(CHR1R2)和R3R4Mo(=CH2)(=CR1R2)之间的α-氢转移反应，探讨了R1，R2，R3和R4位置上不同取代基对α-氢转移反应势垒和产物稳定性的影响。

The theoretical studies on a series of a-hydrogen shift reactions between the alkylidene and alkylidyne organometallic molybdenum complexes R^3R^4Mo（CHR^1R^2） and R^3R^4Mo（= CH2）（= CR^1R^2）were carried out with the density functional theory B3LYP method.

使用B3LYP方法研究了发生在有机钼化合物R^3R^4Mo（CHR^1R^2）和R^3R^4Mo（=CH2）（=CR^1R^2）之间的α-氢转移反应，探讨了R^1，R^2，R^3和R^4位置上不同取代基对α-氢转移反应势垒和产物稳定性的影响。

The reaction barrier will be lowered by the substituents that delocalize the unpair electron in p z orbital of the central carbon atom.

R1和R2位置上取代基对α-氢转移反应势垒的影响取决于取代基对过渡态中碳原子的未参与sp2杂化的p z 轨道上单电子的离域作用。

Finally, experiment results indicate that K_2SO_4 is the most widely and best stimulation effect in familiar dissoluble sulfate.

引入外来质点，降低了成核的表面能势垒，使CaSO_4·2H_2O更容易结晶。

The activation energy barrier is low,it is 79.84 kJ., mol－ 1 and 62.68 kJ., mol－ 1 respectively,both the elimination reactions under normal temperature and pressure are entropy increase,exothermal and Gibbs free energy Δ G

反应活化势垒较低，分别为79.84kJ。，mol－1和62.68kJ。，mol－1，且二者反应在常温常压下是熵增、放热、吉布斯自由能ΔG

Results show that intramolecular hydrogen transfer is not favored in view of the energy trend along IHT coordinate in the region such as hypericin's peri region, where two hydrogens of hydroxyl groups bond with a common oxygen of carbonyl group and exists two IHBs in the peri region. However, intramolecular proton transfer often occur in the molecule with hexahydric cycle hydrogen bond, where only one pair of adjacent hydroxyl group and carbonyl group.

此外选择设计了一个具有三个分子内氢键的体系，兼具金丝桃蒽酮和其他苝醌类光敏剂的分子内氢键特点，研究表明两个羟基氢与共同的羰基氧形成的氢键由于存在较高的势垒，很难发生分子内氢传递，即具有金丝桃蒽酮端位结构的分子其分子内氢传递很难发生，而一般的能形成六元环状结构的分子内氢键体系容易发生分子内氢传递。

The energy of a H atom will lower when the H atom enters into the two inequivalent interstitial sites in Co〓Ti, the volume expansion of Co〓Ti are very small, and the energy barrier between the two interstitial sites is lower.

计算结果显示H原子进入Co〓Ti中的两个填隙位置后能量会降低，而且Co〓Ti的体积变化很小，两个填隙位置间的势垒较小。

Only when the outer electrons forming dangling bonds absorb noncontiguous specific energy and transit into relative free status, can they bond with each other, that is, only when C atom in 3DB status takes in enough energy and conquers potential barrier can it realize reconstruction.

构成悬挂键的外层电子只有吸收非连续的特定能量跃迁成相对自由状态才可能彼此成键，即处于3DB状态的C原子吸收足够能量克服势垒才能实现重构。

Our calculations suggest that this class of non-classical transplatin analogues with one nonplanar heterocyclic amine decreases the equatorial steric effect and the hydrolysis reaction barriers.

计算表明，这些含有非平面杂环胺反铂的配合物减小了赤道面上的立体效应和水解势垒。

Since historical times,England ,where the early inhabitants were Celts, has been conquered three times .

从有历史以来，英国，在此地早期居住的是凯尔特人，已经被征服了三次。

Bluetooth OBEX File Transfer Enables the sending and receiving of files on your phone via Bluetooth.

蓝牙OBEX文件移动允许经过蓝牙传送和接受文件。。。。