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The solvent effects of C24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform, acetone,DMSO and water.

采用密度泛函理论方法,在B3LLYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G*振动分析,用0.9613校正后的主要红外光谱与实验符合得很好。

The solvent effects of C24H30O8 have also been investigated based on Onsadger self-consistent reaction field model in chloroform, acetone, DMSO and water.

采用密 度泛函理论方法,在B3LYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G*振动分析,用0.9613校正后的主要红外光谱与实验符合得很好。

In this work,a full optimal calculation on the molecular geometry and electronic structure of C24H30O8 has been performed using density functional theory methods at B3LYP/6-31G* level.The solvent effects of C24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform,acetone,DMSO and water.

采用密度泛函理论方法,在B3LYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G*振动分析,用0.9613校正后的主要红外光谱与实验符合得很好。

In this work, a full optimal calculation on the molecular geometry and electronic structure of C24H30O8 has been performed using density functional theory methods at B3LYP/6-31G(superscript *) level. The solvent effects of C24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform, acetone, DMSO and water. On the basis of optimized geometry in gas phase the vibration analysis is carried out and the IR principle peaks scaled by 0.9613 are in good agreement with experimental.

采用密度泛函理论方法,在B3LYP/6-31G水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G振动分析,用0.9613校正后的主要红外光谱与实验符合得很好。

In this work, a full optimal calculationon the molecular geometry and electronic structure of C24H30O8 has been performed usingdensity functional theory methods at B3LYP/6 - 31G * level. The solvent effects ofC24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform, acetone,DMSO and water.

采用密度泛函理论方法,在B3LLYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G*振动分析,用0.9613校正后的主要红外光谱与实验符合得很好。

Based on the 1T15M-2 reversible sleeve air spring made by Firestone Corp., an air spring with auxiliary chamber was built. The character of the air spring in vertical direction was described as a linear spring damper element. Using the method of free vibration with damping, the changing rules of the stiffness and damping under different pressure in the air spring with the change of throttle orifice diameter have been studied experimentally.

以美国凡士通公司的IT15M-2型膜式空气弹簧为基础,构建带附加空气室的空气弹簧,将带附加空气室空气弹簧简化为由并联线性弹性和线性阻尼组成的垂直弹性元件,采用单质点自由衰减振动的方法,试验研究不同空气压力下弹簧垂直刚度和阻尼随节流孔孔径变化的规律。

Changsha 410082, China)Abstract: The anharmonic effect of temperature on phonon frequency, line width, vibrational amplitude and structure factor of atoms for the low index surface of Ag were studied by molecular dynamics simulation and the analytic embedded atom method.

摘 要:应用分子动力学,结合分析型嵌入原子模型研究了Ag低指数面的声子频率、声子线宽度、原子振动振幅和层结构因子随温度的变化关系。

The anharmonic effect of temperature on phonon frequency, line width, vibrational amplitude and structure factor of atoms for the low index surface of Ag were studied by molecular dynamics simulation and the analytic embedded atom method.

应用分子动力学,结合分析型嵌入原子模型研究了Ag低指数面的声子频率、声子线宽度、原子振动振幅和层结构因子随温度的变化关系。

Belt press filter series of 500,750,1000,1500,2000,2500,3000 type, a rack made of carbon steel and stainless steel are the most advanced domestic product is a new type of dehydration equipment, with handling capacity, filter Cake containing liquid is low, filter effects, and low energy consumption, vibration small, smooth running characteristics, widely applicable to various activated sludge, digested sludge and mixed sludge dewatering and production of new industrial materials industry dehydration .

带式压榨过滤机系列有500、750、1000、1500、2000、2500、3000型,机架材质有碳钢和不锈钢两种,本产品是国内最先进的新型脱水设备,具有处理能力大、滤饼含液量低、过滤效果好、能耗低、振动小、运行平稳等特点,广泛适用于各种活性污泥、消化污泥及混合污泥的脱水和新产业行业生产过程的物料脱水。

The company has formed a complete production-chain that takes briquettes, form coke, ore powder ball press machine, desulfurized gypsum ball press machine, dry powder ball press machine as main products and vibrating screen, rotary dryer, vibrating feeder, etc.as supplementary products, this machine used in powder coal ash processing , coal slurry, desulfurized gypsum, dust coke , iron ore fines , iron scale, refractory material and so on, it is widely used in electric power, metallurgy, chemical, refractory material industry.

公司形成了以型煤、型焦、矿粉压球机、脱硫石膏专用压球机、干粉压球机等系列产品为主,振动筛、烘干机、给料机等配套设备为辅的完整生产链。

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