Quantum methods,B3LYP,QCISD and CASSCF(8,8) have been carried out on phenylcarbene(Ph—CH) to investigate the effect of stereoscopic effect,hybrid of the central carbon and conjugation effect on the singlet-triplet splitting of phenylcarbene.
使用量子化学方法B3LYP、QCISD和CASSCF,以6-311++G**和6-311G**为基组,对单、三重态苯基卡宾进行了计算研究,讨论了立体效应、中心碳的杂化和共轭效应对单-三重态稳定性的影响。
2293 PX Where XP(G) is the equalized electronegativity of free radical, PEI is the polarizability effect index of R groups or atoms in free radicals R3C·, VNRP is Valence electron - Nonbonding electron Repulsion Potential, C + R is conjugation effect of R groups or atoms in free radicals R3C·, PX is metamorphosis pot.
其中 ,XP(G)为自由基的均衡电负性 ,PEI是自由基中R基团或原子的极化效应指数 ,VNRP是价电子──非键电子排斥势 ,是自由基中R基团或原子的共轭效应 ,PX是基团变形势。
Inductive effect, conjugation effect and hyper conjugation effect are called electronic effect.
诱导效应、共轭效应和超共轭效应总称为电子效应。
According to the()~(13)CNMR chemical shifts of substituted benzene,conjugative effect parameter and inductive effect parameter are established.
以取代苯苯环碳原子化学位移为依据,用曾经设定并初步证实的甲基诱导效应和共轭效应参数,讨论了甲基取代基的诱导效应、共轭效应及定位效应。
In this paper,the stability of propene is briefly described with hyperconjugation;the activity of α H in propene is explained with inductive effect and conjugative effect:the different elctronegativity between C sp2 and C sp3 ,and the stability of active intermediate——allyl free redical.
通过诱导效应和共轭效应及超共轭效应对丙烯及烯丙基自由基稳定性的分析 ,从理论上解释了丙烯的稳定性及其α-H的活泼性 。
The influence of the resonance effect,the conjugative effect,and the inductive effect on the absorption frequency of the characteristic chemical bonds have been discussed mainly in this paper.
重点讨论了共轭效应、共振效应、诱导效应对功能团吸收频率的影响，并利用吸收频率数据比较有机物的某些性质，如羰基化合物的亲核取代反应，若香烃的亲电取代反应，某些酸的酸性强弱，有机物的异构现象。
Influence of conjugate effect on the properties of organic compounds;
共轭效应对有机化合物性质的影响
Study on Resonance Effects of Groups Ⅱ The Chemical Shift In Carbon—13 Nuclear Magnetic Resonance Spectroscopy and the Scales for the Resonance Effects of Groups;
基团共轭效应研究Ⅱ ~(13)C核磁共振的化学位移与取代基的共轭效应强度
It is considered that βnitroguanidine is more stable for its conjugated effect.
对硝基胍的两种构型用MOPAC程序包的AM1方法进行量子化学计算,讨论它们的几何结构和分子总能量,认为β型硝基胍由于存在共轭效应因而分子更趋于稳定。
Orientation Law on Conjugate Effect(+C or -C) of Substitution Radical;
取代基的共轭效应(+C或-C)与其定位规则
A study of two-wave mixing and phase conjugation for Zn:Fe:LiNbO_3
Zn∶Fe∶LiNbO_3晶体二波耦合和相位共轭效应的研究
The Influence of Double-porphyrin Hyperconjugation on Luminescent Spectrum
双卟啉的超共轭效应对其光谱行为的影响
Application Study on Conjugated Effect Principles in Basketball Technical Skills Teaching;
共轭效应原理在篮球普修术科教学中的运用研究
Progress in Organic Electric or Magnetic Materials with Spiroconjugation Effect
具有螺共轭效应的有机电性及磁性材料研究进展
Effects and physical adjustment function of conjugated linoleic acid after exercise
共轭亚油酸运动后效应及其生理调控功能
The Peripheral Effects of Intracerebroventricular Administration of Conjugated Linoleic Acid;
侧脑室注射共轭亚油酸（CLA）的外周效应研究
DUAL PHASE CONJUGATION WAVES GENERATION VIA HIGH-ORDER NONLINEAR EFFECT IN PHOTOREFRACTIVE Fe:LiNbO_3
掺铁铌酸锂晶体高阶非线性效应产生双频相位共轭波
Experimental Study of Overcoming Laser Rod′s Thermal Effect with Stimulated Brillouin Scattering Phase Conjugation Mirror
利用受激布里渊散射相位共轭镜克服激光棒热效应的实验研究
Suppression of the Nonlinear Kerr Effect in Optical Fiber Communication Systems by Dispersion Management and Optical Phase Conjugation;
利用色散管理和相位共轭抑制光纤通信系统中的克尔效应
The Influences of Hydrogen-Bond and π-π Cooperative Effect on Aggregating Properties of Organic π-Conjugated Oligomers
氢键和π-π协同效应对有机π-共轭齐聚物聚集行为的调控
conjugated molecule and unconjugated molecule
共轭分子和非共轭分子
Synthesizing Methyl Ester of Conjugated Linoleic Acid with KOCH_3
甲醇钾催化共轭化反应合成共轭亚油酸甲酯的研究
The Stability of π-π Conjugated Molecules and Their Reactivity of Addition Reaction
π-π共轭的稳定性与加成反应活性
Application Prospect of Conjugated Linoleic Aicd(CLA) in Food Industry
共轭亚油酸在食品工业中的应用前景
Study of Asymmetric Catalytic 1, 4-Conjugate Additions;
不对称催化1，4-共轭加成反应的研究
Studies on the Reaction of the Rearrangement of Non-Conjugation Alkene by Microwave;
微波辐射下非共轭双键重排反应研究
The Synthesis and Applications of Fluorescent Conjugated Polymer PPESO_3
荧光共轭聚合物PPESO_3的合成及应用研究