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transition state     
相关语句
  过渡态
     TRANSITION STATE THEORY CALCULATIONS ON SELECTED-STATE REACTION CROSS SECTIONS OF H+O_2 (n_0,j_0)→HO+0 AND C+H_2 (n_0,j_0)→CH+H
     H+O_2(n_0,j_0)→HO+O及C+H_2(n_0,j_0)→CH+H体系选态反应截面的过渡态理论计算
短句来源
     The Study of Variational Transition State Theory on the Reactions, Cl+HBr, Cl+DBr, Br+HI and Br+DI
     变分过渡态理论对Cl+HBr,Cl+DBr,Br+HI及Br+DI反应的研究
短句来源
     STUDY OF VARIATIONAL TRANSITION STATE THEORY FOR ELEMENTARY REACTION O(~1D) +CS(~1Σ+)→CO(~1Σ~+) +S(~1D)
     基元反应O(~1D)+CS(~1∑~+)→CO(~1∑~+)+S(~1D)的变分过渡态理论研究
短句来源
     The Effect of Vibrational and Rotational Excitation on Transition State Spectroscopy:Emission from [NaNaX] in X+Na2→[NaNaX]→ NaX+Na(X=F, Cl)
     振动转动激发对反应X+Na_2→[NaNaX]~(≠*) →NaX+Na(X=F,Cl)过渡态[NaNaX]~(≠*)的发射谱的影响(英文)
短句来源
     Variational Transition State Theory Studies on the Systems OCS,CO_2 and CS_2
     变分过渡态理论对OCS、CO_2、CS_2体系的研究
短句来源
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  过渡状态
     The effects of β methyls and β ethyls on the isomerization reaction of porphine are studied by using AM1 MO method and transition state theory.
     用 AM1MO方法和过渡状态理论研究了 β-甲基和 β-乙基对卟吩异构化反应的影响 .
短句来源
     DISCUSSION ABOUT K_≠ AND OTHER CONCERNING QUESTIONS IN THE THEORY OF TRANSITION STATE
     关于过渡状态理论中的K_≠及有关问题的讨论
短句来源
     Femtosecond Laser Pulses Research into Chemical Reaction of Transition State
     飞秒激光对化学反应过渡状态的研究
短句来源
     The Fuzzy Model of the Turbulent Law of Open Channels under the Transition State
     过渡状态下明渠水流紊动规律的模糊模型
短句来源
     Summary of Application And Evolution of the Transition State Theory
     过渡状态理论的发展及应用综述
短句来源
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  过渡态
     TRANSITION STATE THEORY CALCULATIONS ON SELECTED-STATE REACTION CROSS SECTIONS OF H+O_2 (n_0,j_0)→HO+0 AND C+H_2 (n_0,j_0)→CH+H
     H+O_2(n_0,j_0)→HO+O及C+H_2(n_0,j_0)→CH+H体系选态反应截面的过渡态理论计算
短句来源
     The Study of Variational Transition State Theory on the Reactions, Cl+HBr, Cl+DBr, Br+HI and Br+DI
     变分过渡态理论对Cl+HBr,Cl+DBr,Br+HI及Br+DI反应的研究
短句来源
     STUDY OF VARIATIONAL TRANSITION STATE THEORY FOR ELEMENTARY REACTION O(~1D) +CS(~1Σ+)→CO(~1Σ~+) +S(~1D)
     基元反应O(~1D)+CS(~1∑~+)→CO(~1∑~+)+S(~1D)的变分过渡态理论研究
短句来源
     The Effect of Vibrational and Rotational Excitation on Transition State Spectroscopy:Emission from [NaNaX] in X+Na2→[NaNaX]→ NaX+Na(X=F, Cl)
     振动转动激发对反应X+Na_2→[NaNaX]~(≠*) →NaX+Na(X=F,Cl)过渡态[NaNaX]~(≠*)的发射谱的影响(英文)
短句来源
     Variational Transition State Theory Studies on the Systems OCS,CO_2 and CS_2
     变分过渡态理论对OCS、CO_2、CS_2体系的研究
短句来源
更多       
  “transition state”译为未确定词的双语例句
     MNDO method has been employed to study the reaction pathway and the struc tures of the reactant,the product and the transition state for the reaction of SiH_3NO_2 SiH_3ONO tautomerism.
     用MNDO法研究了SiH_3NO_2和其异构体SiH_3ONO之间的转化。
短句来源
     The calculated results showed that O(3P)atom attacked N2 and C1 atoms in CH2NH(s)producing CH2NHO(t)and OCH2NH(t)respectively,CH2NHO(t)rearranged to CH3NO(t)through a ring structure transition state when H5 shifted from N to C1.
     研究结果表明,O(3P)原子进攻CH2NH(s)中的N2原子和C1原子生成CH2NHO(t)和OCH2NH(t),CH2NHO(t)中N2上的H5可迁移到C1上异构化为CH3NO(t).
短句来源
     When H2C= C(OH)Na reacts as a carbenoid, it will have a transition state like structure 2. Compared with CH2 == C(OH)Li,CH2 = C(OH)Na is easier to serve as acyl anion equivalent,but more difficult to react as carbenoid.
     同H_2C=C(OH)Li相比较,H_2C=C(OH)Na碳负离子反应将更突出,发生类卡宾反应则更加困难.
短句来源
     The transition state energy of F +→W 5d is about 2.8eV. This signifies that Nb doped crystal can't banish the absorption at 420nm.
     而F+ →W5d轨道的跃迁能量为 2 .8eV ,对应晶体中 4 2 0nm吸收。
短句来源
     And finally the transition state calculated from MP2/3-21Gmethod is validated by intrinsic reaction coordinate(IRC).
     用内禀反应坐标(IRC)验证了MP2/3-21G! !
短句来源
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  transition state
The energy profile is characterized by a shallow well (4-12 kJ/mol) in the region of the biradicaloid transition state.
      
Charge transfer in an exciplex and polarization of the medium generally occur after passing the transition state.
      
The structure of the transition state of the slow step of hydroxylation is intermediate between the structure of a charge-transfer complex and that of a σ-complex.
      
All of the four reaction series follow the same correlation within the framework of the parabolic model of a transition state.
      
This mechanism consists in the stabilization of the transition state formed by the α-abstraction of a carbon atom from the C-Cl bond in the aromatic solvent.
      
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A β-glucosidase was isolated and purified from Trichoderma koningii X-85 through chromatography on DEAE-Sephadex A-50, SE-Sephadex C-50 and Sephadex G-75 column, with 766-fold purification and 25.8% recovery. The isolated enzyme showed a single band in both polyacrylamide electrophoresis at pH 8.3 or pH 4.3 and SDS polyacrylamide gel electrophoresis. The protein was then regarded as homogeneous. The moleoular weight was found to be about 77000 as determined by SDS polyacrylamide gel (Weber's system) electrophoresis....

A β-glucosidase was isolated and purified from Trichoderma koningii X-85 through chromatography on DEAE-Sephadex A-50, SE-Sephadex C-50 and Sephadex G-75 column, with 766-fold purification and 25.8% recovery. The isolated enzyme showed a single band in both polyacrylamide electrophoresis at pH 8.3 or pH 4.3 and SDS polyacrylamide gel electrophoresis. The protein was then regarded as homogeneous. The moleoular weight was found to be about 77000 as determined by SDS polyacrylamide gel (Weber's system) electrophoresis. Variation of pH and temperature or treatment with 1% SDS oaused inactivation and change of electrophoretio behaviour of the enzyme, which suggested that this enzyme might be consisted of subunits. The enzyme could be protected from inaotivation and change of electrophoretic behaviour by substrate (cellobiose) and a competitive inhibitor, δ-gluconolactone. K_i value of δ-glucono-lactone was considerably lower than K_m value. Therefore δ-glucono-lactone may be a transition state analogue inhibitor.

从康氏木霉培养抽提液中分离提纯了β-葡萄糖苷酶。提纯步骤通过DEAE SephadexA-50、SE Sephadex C-50和Sephadex G-75柱层析三步纯化。提纯后比活提高766倍,回收率为25.8%。经硷性和酸性Disc电泳以及SDS凝胶电泳鉴定均为单一带。用SDS凝胶电泳测得该酶的分子量为77000。用加温、改变pH或化学变性剂(SDS)处理均能使酶失活并且改变该酶的凝胶电泳行为,揭示该酶有亚基存在的可能性。用底物(纤维二糖)或竞争性抑制剂(葡萄糖酸δ-内酯)能保护该酶使其酶活和电泳行为基本上不改变或变化较小。δ-内酯的K_(?)比K_m要小二到三个数量级,它很可能是该酶底物过渡态中间物的类似物。

The tacticity of PMMA prepared with anionic catalyst n-BuLi in non-polar solvent toluene was characterized with H-NMR. The following results were obtained:1. In the polymerization with this system, isotactic placement increases with conversion (Tab. 1, Fig. 3).2. Fractions from fractional precipitation of PMMA differ in tacticity, isotactic enchainment being higher in fractions higher in [η] (Tab. 2, Fig. 4).3. Both the bimodal and broad MWD and the predominance of isotactic enchainment are explained in terms...

The tacticity of PMMA prepared with anionic catalyst n-BuLi in non-polar solvent toluene was characterized with H-NMR. The following results were obtained:1. In the polymerization with this system, isotactic placement increases with conversion (Tab. 1, Fig. 3).2. Fractions from fractional precipitation of PMMA differ in tacticity, isotactic enchainment being higher in fractions higher in [η] (Tab. 2, Fig. 4).3. Both the bimodal and broad MWD and the predominance of isotactic enchainment are explained in terms of contributions of various transition-states Ⅰ-Ⅲ. With the consumption of monomeric MMA as polymerization proceeds, the contribution of Ⅱa, which is prone to syndiotactic enchainment, is lessened, and the contribution of Ⅰ, which, due to tight attraction of the counterions, favors isotactic placement, is becoming more important. The contribution of Ⅱb, seemingly similar to that of Ⅱa, is decreased by the shield of random coil and the slow diffusion rate of macromolecules.4. Isotactic placement increases with lowering of polymerization temperature (Fig. 5). The effect of temperature on tacticity is, however, not as pronounced as that of solvent and convevsion (Tab. 3). Change in enthalpy of activation (Δ(ΔH_p~≠)) and that in entropy of activation (Δ(ΔH_p~≠)) between isotactic and syndiotactic enchainments were calculated (eqs. 4,5 and 6) to be-0.75±0.05 kcal. and 0.37±0.05 e.u., respectively. Due to the absence of solvation of the counterions by the solvent, isotactic enchainment is favored through Ⅰ in polymerizaion in a non-polar solvent. Invalidity of eq. 7 signified that polymerization in the present case follows a Markovian chain process rather than a Bernoullian one.

本工作用核磁共振研究了甲基丙烯酸甲酯住甲苯中以n-BuLi为引发剂的阴离子聚合反应产物的空间构型规整性。结果如下: 1.在聚合过程中,单体转化率增大,产物中全同中心单元的浓度增加。2.将合成的PMMA进行沉淀分级之后,不同的级分具有不同的构型规整度。特性粘数大的级分,全同中心单元含量亦大。3.我们设想在所研究的反应体系中存在三种活性中心,它们之间存在一定的络合平衡和相互转化关系,从而合理地解释了各种实验现象,例如分子量分布很平宽和具有双峰,以及产物的构型规整度在反应过程中的变化等等。4.反应温度降低,产物中全同结构增加,但其影响不如溶剂或单体转化率等因素的影响大。测得全同键接和间同键接的活化热焓差及活化熵差分别为:-0.75±0.05千卡和0.27±0.05熵单位。

Reactions of carbomethoxymethylene triphenylarsorane (1a) and benzoylmethylene. triphenylarsorane (1b) with α, β-unsaturated esters (R~1CH=CR~2CO_2CH_3; 2a, R~1=H, R~2=H; 2b, R~1=CH_3, R~2=H; 2c, R~1=H, R~2=CH_3) gave the corresponding substituted cyclopropanes stereospecifically. The yields of the products were shown in the following table.The mechanism of the reactions was postulated as follows:(1) The reaction began with nucleophilic attack on the double bond and an intermediate was formed.(2) The preferred...

Reactions of carbomethoxymethylene triphenylarsorane (1a) and benzoylmethylene. triphenylarsorane (1b) with α, β-unsaturated esters (R~1CH=CR~2CO_2CH_3; 2a, R~1=H, R~2=H; 2b, R~1=CH_3, R~2=H; 2c, R~1=H, R~2=CH_3) gave the corresponding substituted cyclopropanes stereospecifically. The yields of the products were shown in the following table.The mechanism of the reactions was postulated as follows:(1) The reaction began with nucleophilic attack on the double bond and an intermediate was formed.(2) The preferred conformations 5 and 7 which had lower energy in the transition state underwent the subsequent cyclization to give the products.The configurations of the products were ascertained either by comparing with the compounds of known configuration or on the basis of NMR spectra.

甲氧羰基亚甲基三苯基胂(1a)和苯甲酰基亚甲基三苯基肿(1b)与α,β-不饱和酸酯(R~1CH=CR~2CO_2CH_3;2a,R~1=H,R~2=H;2b,R~1=CH_3,R~2=H;2c,R~1=H,R~2=CH_3)反应,得到立体专一的相应环丙烷衍生物3,经水解得到4。根据构象分析,讨论了反应的机理。从~1H核磁共振谱或与已知构型的化合物相比较,确定了产物的构型。

 
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