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These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

用Lippert-Mataga方程计算了该化合物基态和激发态偶极矩间的差值。结果证明该化合物在激发态存在着强烈的分子内电荷转移行为。

Second there is the structural formula this is the most informative type of chemical formula and shows the general arrangement of the atoms in a molecule.

第二种为结构式,这是包含信息最多的一种化学式,表示了分子内原子的总体排列。

And then different kinds of intramolecular N-H…O=C hydrogen bonding energies for peptides were evaluated by the substitution method.

在说明取代法的合理性后应用此方法计算α-和β-多肽结构中不同类型的N-H…O=C分子内氢键键能。

In this paper, a method was proposed to evaluate the intramolecular N-H…O=C hydrogen bonding energies for peptides. The reasonability of the substitution method was explained.

本论文的主要研究任务是设计一种能够计算多肽和蛋白质体系中N-H…O=C分子内氢键键能的新方法。

Rab proteins are small molecular weight GTPases that control vesicular traffic in eukaryotic cells.

Rab蛋白是一类小分子的GTP酶,调节真核细胞内的小泡运输。

Glucose an aldohexose, exists as D and L forms. The furthest asymmetric carbon from the aldehyde group is C-5. D-glucose is called D because the configuration of the atoms bonded to C-5 is the same as for D-gly- ceraldehyde. Similarly D-fructose﹙a ketohexose﹚ is designated D because the configuration

环状结构:醛基或酮基跟一个羟基反应共价闭合,形式上一个糖的醛基和羟基反应生成了一个半缩醛,而一个酮基与一个羟基反应生成一个半缩酮,在同一分子内这个反应能进行,单糖的开链式形成了糖环,葡萄糖环形成一个六碳环。

Whereas the absorption spectrum undergoes minor change with increasing polarity of the solvents, the fluorescence spectrum experiences a distinct bathochromic shift in the band position and the fluorescence quantum yield increases reaching a maximum before decrease with increasing the solvent polarity.

第三章:本章采用紫外可见和荧光分光光度法研究了一种新型的分子内电荷转移荧光探针1-酮-2--四氢萘在不同极性有机溶剂中的发光行为和光物理性质。

Bipyridyl and 1,10-phenanthroline (L3), Cl3SnCH2CH2COORo L (L= L1, a; L2, b; L3, c), formed by low-heating solid-state reaction. The crystal structures of 1 and 2 show that the tin atom adopts a distorted trigonal bipyramid geometry via intramolecular carbonyl oxygen to tin coordination [the distances of Sn-0 bond are 0.2351(6) ran for 1 and 0.2362(3) nm for 2]. Compound 1 belongs to monoclinic with space group P2/c, a = 0.9842(2) nm, b =1. 0923(8) nm, c = 1.23948(11) nm,/?= 93.894(15)°, V= 1.3294(4) ran3, Mr = 366.23, 7 = 4. Compound2 belongs to monoclinic with space group P2{/c, a = 1.04443(9) nm, b = 1.04823(7) nm, c = 1.28113(9) nm,/= 90. 953(8)°, V= 1.40239(19) nm3, Mr = 380.25, Z = 4

利用元素分析、红外光谱、核磁共振对其结构进行了表征,并通过X射线单晶衍射测定了1和2的晶体结构,二者均为具有分子内羰基氧原子配位的畸变三角双锥结构。1属于单斜品系,空间群P21/c, a=0.9842(2)nm,b=1.0923(8)nm,c=1.23948(11)nm,β=93.894(15)°,V=1.3294(4) nm^3,Mr=366.23,Z=4.2属于单斜晶系,空间群P21/c,a=1.04443(9)nm,b=1.04823 (7)nm,c=1.28113(9)nm,β=90.953(8)°,V=1.40239(19)nm^3,Mr=380.25,Z=4。

Butadiene was polymerized to some extent in the presence of binary catalyst system NdCl33iPrOHAlEt3 in toluene and the allylchloride was then added to the solution in order to cyclize the formed polybutadiene and cyclopolymerize the unreacted butadiene monomers.

采用NdCl3·3i-PrOH-AlEt3稀土催化剂进行丁二烯的顺式聚合,在聚合过程中引入烯丙基氯,进行分子内环化反应以及单体的环聚反应。

Dihydrojasmone was synthesized from2-hexyl-5-methyl-1,2-oxaborolane,prepared frommethyl vinyl ketone and hexene,via the homologationwith 〓 followed by PCC oxidation and intra-molecular condensation.In stead of the oxidation ofthe C-B bond of 1,2-oxaborolane,fluoride inducedhalogenation of 2-alkoxy-1,2-oxaborolane was found togive 3-halopropanol.

硼氢化甲基乙烯基酮和已烯得到的2-已基-5-甲基-1,2-氧硼杂环戊烷与〓反应,再经PCC氧化,分子内缩合得到二氢茉莉酮。1,2-氧硼杂环戊烷的C-B键除氧化断裂之外,也能够在〓或KF作用下卤化断裂成碳卤键。

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