查询词典 bond angle

The bond angle of O-M-O for the two complexes are in excellent agreement with each other.

化合物4和5的差热分析也表明化合物有一个非配位水和两个配位水。

The quantity and affecting pattern of electron correlation effect in this kind of clusters are calculated by fitting bond angle related potential function

采用一个较简单的经典模型拟合了电子相关势能函数，并估算了它的大小和作用模式

According to this construction, ethylene is predicted to have an H-C-H bond angle of 120°, the measured angle of 117.5°being reasonably close to this value.

按照这种结构，预计乙烯的键角为120°，测得的键角是117.5°，相当接近与该值。

These results reveal that, as an intrinsic property of the wave function of atoms, the angle of the probability distribution of the angular two-electron density is approximately equal to the bond angle of the molecular which usually can be explained by the hybridization theory.

结果显示，作为原子波函数的内禀性质，双电子密度最可几角分布的角度与通常由分子杂化轨道理论解释的相关原子的分子的结合键角近似相等。

Geometric parameters such as bond length, bond angle and molecular volume were carefully investigated, as most of the acyclic alkanes under study are not yet synthesized.

研究还测定了它们的几何参数，如键长，键角，分子体积等，它们中的绝大多数分子目前还没有被合成。

Therefore, the structure could be stable. However, the structure was changed to amorphous when the strain level was over 15%. At the same time, the binding energy increased rapidly and the structure stability was reduced. During the deformation process, both the bond angle and bond length were significantly affected by the strain level.

这表明Ni纳米线的径向很软，结构之间几乎没有能量转换，且其稳定性基本不变；当压缩程度大于15%时，Ni纳米线结构变为无定形结构，它的结合能变大，且变化很快，表明其稳定性降低；压缩程度对Ni纳米线键角和键长的分布有着很大的影响。

The results show that there are eight reaction channels, corresponding to eight transition states, in the reaction process. The main parts of all transition states are non-planar five-membered ring, in which the geometry of Z -benzaldoxime and E -benzaldoxime is maintained partially, but the bond length, bond angle and charge are all changed.

结果表明，在苯甲醛肟与炔丙醇加成反应过程中， 8个可能反应通道的过渡态中均形成非平面五元环结构，其中苯甲醛肟的 Z 、 E 构型特征得到了部分保留，但主要部分的键长、键角均发生了变化，电荷也进行了重新分布。

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。

The force is dominated by entropy force when the chain isdeformed less than 0.9 of the full-extended chain, while by enthalpy force. Theenthalpy force is contributed by the intro-molecular interaction. Bond stretchcontributes to the force more than bond angle bend. Torsion and VDW contributelittle to the force.3. The internal energy contribution to the elastic force It is in dispute that whether 〓 is dependent on the strain, and it is hard toresolve the problem using present elastic theories because they are athermal.

我们模拟了聚乙烯模型聚合物的SMFS，研究了链长、势能有效距离和温度对力谱的影响，探讨了力谱的本质问题，得到以下结果：改进的分子动力学方法可以很好的模拟聚合物的SMFS；SMFS是链段的性质而不是整个高分子链的性质，对于聚乙烯，该链段碳原子数目大于40；SMFS的本质是熵弹性，形变小于全伸直链的0.9时，力为熵弹力；形变超过全伸直链的0.9时，能弹力占主导地位，这种能弹力完全是分子内相互作用引起的，是由键伸缩和键角弯曲贡献的。3。

Two Structures were determined by Difference Fourier Method, the r.m.s. deviations of bond length were 0.0013nm and 0.0013nm,and r.m.s. deviations of bond angle were 2.708° and 2.584° respectively.

采用同晶差值傅立叶法解析结构，用X－ PLOR 软件包进行修正，最后两模型的偏差因子分别为（0.187 和0.263）和（0.180 和0.233），键长偏差都为0 。0013nm，键角偏差分别为2 。708°和2 。584°。

He and Nina moved to California and lived at 2005 Ivar Street, Apt.

他和Nina搬到加州，并在2005年伊瓦尔街，公寓生活。

Droperidol （ potently inhibits transfected HERGchannels and this is the probable mechanism for QT prolongation.

氟哌利多有效地抑制了转染的 HERG 钾通道，可能是 QT 间期延长的机制。