The H-bond plays a very important role in chemistry, physics and biology.
氢键在化学、物理和生物等研究领域发挥着非常重要的作用。
Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。
The calculated results show that the regioselectivity of this reaction doesn't result from the energy barriers of relate reactions but the energy gap of the H-bond complexes.
结果表明，决定该反应区域选择性的主要因素不是反应的活化能，而是氢键复合物间的能量差异。
So we have h, then we can draw our bond as a line.
那么我们有氢，可以把我们的键画成一条线。
So, for example, down here I wrote that it was n 2 and that it was h 2, but when I re-wrote the molecules up here, you saw that it's an h h single bond where it's a nitrogen-nitrogen triple bond.
比如，在这下面我写的是氮分子2,而这个是氢分子，但我在上面把这些分子的形式改写了，大家可以看到,这是一个氢与氢之间的单键，含一个氮与氮之间的三键。
And so this is the H-F bond in HF.
所以这是氟化氢中的氢氟共价键。
The strength of the hydrogen bond between H of NH3+ group and the 3rd receptor site of taste bud resolved in the intensity of sweetness.
氨基上的一个氢原子与甜味接受体上第3点结合形成氢键，其强度决定甜味的强弱。
In- termolecular reactions were observed with the C—Pd bond formed by the C—H activation of the aromatic ring and the nitrile group.
当然，人们也观察到了通过芳香C—H键活化产生的芳基碳钯键与腈基的分子间反应。
H plasma treatment changes the bond state between the deposit and substrate, resulting in a improved adhesion of the deposit to cemented carbide.
等离子处理改变了镀层和基体之间的结合状态，提高了镀层与硬质合金的结合强度。
Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.
参与新键形成和旧键断裂原子C（1），H（11），O（28），O（29）和N（27）的原子自然电荷及与其相关的键长、键角有明显的变化。
There is a potential weak intermolecular hydrogen bond through C(8)—H(8A)…O(1), which stabilizes the structure of the title compound.
从晶胞堆积图中可看到，通过C（8）—H（8A）…O（1）有一潜在的弱的氢键，使标题化合物的结构更稳定。
The intra-molecule hydrogen bond between atom N and H was found.
分子中还存在着N与H原子间的分子内氢键。
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.
利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。
The results show that the hydrogen of C—H bond on ACFs were substituted by fluorine at different condition. The C—F covalence bond was built at molecular level.
结果表明，随着反应时间和温度的变化，活性炭纤维表面氟取代氢基数目增加，同时在分子水平上形成C—F共价键。
H atom of phenolic hydroxyl in the ligand was attractive to N atom forming intramolecular hydrogen bond, and a new six-membered ring was formed by the hydrogen bond connection.
配体中酚羟基上的H原子与N原子相吸形成了分子内氢键，并以氢键连接构成了一个新六元环。
The reaction rate is determined by the activity of C-H bond in side-chain alkyl.
其反应速度主要取决与侧链烷基上c - H键的活性。
Resin bond grinding wheels have characteristics of good self-sharpening, high grinding efficiency, low grinding heat and no loading. The processed workpiece h.
树脂结合剂金刚石砂轮自锐性好，不易堵塞，磨削效率高，温度低，工件表面粗糙度较低。
Raman spectroscopy results showed that: the presence of electron withdrawing groups improved the bond energy of C-H in the benzene ring.
拉曼光谱分析结果证明：吸电子基团的存在使苯环上c - H的键能提高。
The entrance channel of the C-H bond activation step involves the spin cross between the singlet and triplet potential energy profiles.
C-H键活化步骤涉及势能面交叉，且自旋交叉与动力学相关。
The C-H bond activation is the rate-limiting step.
C-H键活化为整个反应的决速步骤。
The wavelength of O-H bond is near the size of many bacteria.
O-H键的振动波长接近许多细菌的长度范围。
The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated . The results show that there are two active adsorption site on the model zeolite.
通过模拟计算确定了两个低能吸附位点及相应的吸附热，结果与实验值非常接近。
An increase in the specific surface area of the alumina pellets enhances the HCHO removal, and this indicates that the adsorbed HCHO species may have a lower C-H bond breakage energy.
氧化铝小球比表面积的增加能够促进甲醛的脱除，这表明被氧化铝吸附的HCHO分子的C-H键的解离能被有效降低。
An increase in the specific surface area of the alumina pellets enhances the HCHO removal, and this indicates that the adsorbed HCHO species may have a lower C-H bond breakage energy.
氧化铝小球比表面积的增加能够促进甲醛的脱除，这表明被氧化铝吸附的HCHO分子的C-H键的解离能被有效降低。
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