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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。

The synthesized polyimide membrane showed good nanofiltration performance for organic mixtures of lubricant oil with acetone and benzene solvents.

操作压力为2 MPa下稳态操作时,该膜对酮苯脱蜡工艺后的溶剂与润滑油基础油混合物的截留率达66%,通量为4.26 L/(m2·h),为有机溶剂体系的纳滤膜分离技术的工业应用提供了基础。

Epoxy Floor Paint Series, cement floor paint products have: BAYDERM, in Tu,solvent-free epoxy self-leveling, low-odor solvent-Ping Tu topcoat, waterborne epoxy-Ping Tu, epoxy anti-static floor paint ( aqueous / oily), polyurethane epoxy floor paint, acrylic acid Series Paint: one-component acrylic floor paint, acrylic Weatherability Exterior Paint, Paint Stadium, cementpaint, mold bacteria and outside the wall paint.

环氧树脂系列地坪漆、水泥地板漆产品有:底涂、中涂、无溶剂环氧自流平面涂、低气味溶剂平涂面漆、水性环氧平涂、环氧防静电地坪漆,环氧聚氨酯地板漆,丙烯酸系列涂料:单组份丙烯酸地坪漆、耐候丙烯酸外墙漆、球场漆、水泥彩瓦漆、防菌防霉内外墙涂料。

The activity coefficient of NaCl in mixed solution of water and 1, 2-propanediol were measured using conductivity method, and the relationship between activity coefficient and concentration of mixed solution were discussed.

应用电导法测定了NaCl在混合溶剂(1, 2-丙二醇和水)中的活度系数,讨论了电解质溶液活度系数与浓度的关系,并计算了NaCl在混合溶剂中的相对偏摩尔自由能,对其相对偏摩尔性质的某些变化规律作了初步的讨论。

We have extracted apple seed oil by using ultrasound and studied the effect of the parameters, such as the power, the temperature and extracting time of the ultrasound as well as the particle size, solvent dosage on extraction rate by using the single factor and orthogonal design.

应用超声波法提取苹果籽油,采用单因素和正交设计法研究了超声功率、超声温度、超声时间、物料粒度和溶剂用量对苹果籽油提取率的影响,研究结果表明,在超声强度为175W,超声温度为60℃,超声时间为30min,溶剂用量为8mL/g,物料粒度为60目的条件下,苹果籽油平均得率为26.5%。

A synthesis method of 2-(2'-hydroxyl-4'-benzoyloxy-phenyl)-2H-benzotriazole and derivatives thereof is provided, and is characterized in that 2-(2', 4'-dihydroxyphenyl)-5-X-2H-benzotriazole and benzoyl chloride are taken as raw materials for reaction in solvent for 1-8 hours under the temperature of 50-140 DEC C with the mole ratio of 1 to 0.95-1.1, wherein, the amount of the solvent is 2 to 20 times that of the 2-(2', 4'-dihydroxyphenyl)-5-X-2H-benzotriazole and X represents H, F, Cl, Br.

一种2-(2′-羟基-4′-苯甲酸基苯基)-2H-苯并三唑及其衍生物的合成方法,其特征是,以2-(2′,4′-二羟基苯基)-5-X-2H-苯并三唑和苯甲酰氯为原料,在溶剂中进行反应,反应温度50℃~140℃,反应时间1~8小时,反应原料摩尔比2-(2′,4′-二羟基苯基)-5-X-2H-苯并三唑∶苯甲酰氯为1∶0.95~1.1,溶剂用量为2-(2′,4′-二羟基苯基)-5-X-2H-苯并三唑重量的2~20倍,其中X代表H、F、Cl、Br,具有反应条件温和、反应收率高和产物纯度高的特点。

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