分子体积

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。

Accordingly, in order to provide insight into the function of coenzyme B12 and the mechanism of enzymatic catalysis, it is necessary to investigate the conformational change of corrin ring accompa-nying the Co-C bond homolysis, the Co-C bond dissociation energy, and the factors influencing the Co-C bond strength.

激光诱导时间分辨光声量热法(laser-induced optoacoustic calorimetry，简称LIOAC；或time-resolved photoacoustic calorimetry，简称PAC)是在纳秒至微秒时间量级上直接定量检测激光诱导光化学反应及光生化反应过程中能量传递以及有关反应分子体积变化的新方法。

Moreover, the dopants with large molecule volume and high refractivity index will increase the Rayleigh scattering loss but improve the thermal stability of GI POF.

如果掺杂剂的分子体积大、分子折射率高，则GI POF预制棒的瑞利散射损耗大，但热稳定性能高。

As the size of the solvate mol. S increases from C6H5F to o-C6H4Cl2 along the preceding sequence, the Tc value estimated from the meff vs.

随着溶剂分子体积由C6H5F至o-C5H4Cl2的依次增大，相应溶剂合物的μeff-T曲线的Tc值向低温方向位移。

T curve of the corresponding solvate trends towards the lower temperature A linear relationship was observed between the mol. vols. of the monohalogenated benzene and the Tc values of the corresponding solvates, with the only exception being the chlorobenzene analog. This anomaly is attributed to a first-order phase transition occurred around 185 K, which coincides with the Tc value of this solvate.

特别在单卤代苯系列中，溶剂的分子体积与Tc值呈线性关系，但氯苯溶剂合物是例外：后者的反常现象主要是由晶格内部的Tc≈185K时伴随发生了与自旋变异协同的一级相变所造成，这个相变过程已为示差扫描量热测定和Mossbauer中心位移对温度的曲线呈现的不连续性所证实。

Then, the equation of quantitative structure-activity relationship was effectively established with four descriptors like the molecular volume V(subscript m, order zero chi index, sum of the product of solvent-accessible surface area multiplied by partial charge for all positively charged atoms (Jurs-PPSA-3), and molecular surface area.

QSAR方程含分子体积V、分子分支度指数CHI-0、分子中带正电荷原子的溶剂可积面积与其所带电荷之积的加和值Jurs-PPSA-3以及分子表面积S4个结构描述符。

The quaternary structures of aves, teleost and mammal Hbs were compared showing that the subunit distances and molecular volumes of aves and teleost Hbs are larger than mammal Hbs. Analysis indicates it is due to that the former two select residues with larger side chain.

通过对鸟类、硬骨鱼类和哺乳类血红蛋白的四级结构的比较，发现鸟类和硬骨鱼类血红蛋白亚基间的距离和分子体积大于哺乳类血红蛋白，分析表明这是由于前二者选择了较大侧链的残基。

The effects of dopant concentration, the molecular volume and the temperature of polymerization on the refractive index profile of the preform rods were investigated in detail.

观察到聚合温度对折射率分布的影响以及掺杂剂分子的分子体积在极端情况下(如溴苯与MMA分子的分子体积相似，联苯分子体积比MMA则要大的多)对折射率分布的影响，清楚地显示出分子体积在界面-凝胶聚合过程中所起的重要作用。

Simultaneously, their quantum chemical descriptors, such as the highest occupied orbital energy, the lowest virtual orbital energy, dipole moment and molecular volume, are obtained.

同时得到相应的量子化学参数，如：分子最高占有轨道能、分子最低空轨道能、分子偶极矩和分子体积等，并将这些理化参数与有机染物的麻醉毒性参数相关联。

It was suggested that quantitative structure parameters or molecular descriptors can give effective prediction of the critical volume.

研究表明，分子体积、分子支链化程度以及分于表面的静电分布等定量结构参数可以有效地估算有机物的临界体积。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。