水化合物

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。

Part I, the Friedel-Crafts acylation on DAA and methyl dehydroabietic acid was carried out with acetyl chloride, benzoyl chloride or phthalic anhydride as acylating regents, anh- ydrous aluminum chloride as catalyst and with different solvents to compare with, we have got t- hree new compounds.

第一部分，分别以脱氢松香酸和脱氢松香酸甲酯为底物，乙酰氯、苯甲酰氯、邻苯二甲酸酐为酰化试剂，无水三氯化铝作催化剂，采用不同的溶剂及反应条件进行傅克酰基化反应，得到3个新化合物。

The latter is chlorinated in the side chains under free-radical conditions to give 2,4-dichloro-5-fluoro-3-dichloromethyl-1-trichloromethylbenzene. The latter is hydrolysed via 2,4-dichloro-5-fluoro-3-dichloromethylbenzoic acid, which can be isolated if necessary, to give 2,4-dichloro-5-fluoro-3-formyl-benzoic acid, the aldehyde group of which is reacted to give 2,4-dichloro-5-fluoro-3-N-hydroxyiminomethyl-benzoic acid, from which, with simultaneous conversion of the carboxyl group into the chlorocarbonyl group, water is eliminated using an acid chloride to give the nitrile 2,4-dichloro-3-cyano-5-fluoro-benzoyl chloride.

随后，在游离基条件下进行侧链的氯化，得到2，4-二氯-5-氟-3-二氯甲基-1-三氯甲基苯、后者被水解，经过2，4-二氯-5-氟-3-二氯甲基苯甲酸(如果需要此化合物可以分离)，得到2，4-二氯-5-氟-3-甲酰苯甲酸，将其醛基反应，得到2，4-二氯-5-氟-3-N-羟基亚氨基甲基苯甲酸，用酰氯从其中除去水，同时将羧基转化为碳酰氯，得到一种腈，即2，4-二氯-3-氰基-5-氯-苯甲酰氯。

Any one of a family of hydrous aluminum silicate minerals, whose molecules enclose cations of sodium, potassium, calcium, strontium, or barium, or a corresponding synthetic compound, used chiefly as molecular filters and ion-exchange agents.

沸石水合的铝硅酸盐矿物的一种，它的分子包括钠、钾、钙、锶、钡的阳离子或相同的人工化合物，主要用于分子过滤和离子交换的催化剂

Any one of a family of hydrous aluminum silicate minerals,whose molecules enclose cation s of sodium,potassium,calcium,strontium,or barium,or a corresponding synthetic compound,used chiefly as molecular filters and ion - exchange agents.

沸石水合的铝硅酸盐矿物的一种，它的分子包括钠、钾、钙、锶、钡的阳离子或相同的人工化合物，主要用于分子过滤和离子交换的催化剂

A new complex, [(C6H6N2O)2Co(H2O)2] Br2 was prepared from picolinamide, Co(NO3)2 and benzyl bromide, and characterized by X-ray diffraction.

用皮考林酰胺、六水合硝酸钴和苄基溴反应制得一种新配合物[(C6H6N2O)2Co(H2O)2]Br2，通过红外光谱、元素分析及X射线晶体衍射对化合物进行了表征。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新