1) HOMO-HOMO interaction
HOMO-HOMO相互作用
2) HOMO LUMO
HOMO-LUMO
3) HOMO orbit
HOMO轨道
1.
The charge number of each carbon atom on benzene circle and every atomic orbit coefficient of various compounds in HOMO orbit were calculated,the method of judging the orientation effect of substituent according to electron density and atomic orbit coefficient in HOMO orbit was put forward,on which,the orientation effects of 10 kinds of subst.
采用混合密度泛函理论的B3LYP方法,在6-311G**水平上对10种取代基所形成的化合物进行结构优化,计算出苯环上各个碳原子的电荷数及各种化合物HOMO轨道中各个原子轨道系数,提出依据电子密度和HOMO轨道中原子轨道系数判断取代基定位效应的方法,并依此给出了10种取代基的定位效应。
4) HOMO energy level
HOMO能级
1.
Fast and convenient determination of HOMO energy level of organic eletroluminescent material using electrochemistry method;
快速简便测定有机电致发光材料HOMO能级的电化学方法
2.
The HOMO energy levels of these compounds were obtained from cyclic voltammetry, based on the values of -4.
以二芳胺和芳碘体系为原料,经乌尔曼反应制备了一系列三芳胺衍生物,经NMR,IR,MS等表征了其结构,通过示差扫描量热法(DSC)测定了其玻璃化转变温度,并利用循环伏安法结合紫外可见光谱测定了其HOMO能级和LUMO能级。
3.
There are mainly several methods, for example, UV-vis absorption spectroscopy, quantum chemistry calculation, and cyclic voltammetry, are usually used to obtain band gap and HOMO energy level, respectively.
电化学方法(如循环伏安法)是表征有机材料的HOMO能级的简单而被广泛采用的方法。
5) HOMO-LUMO energy gap
HOMO-LUMO能隙
1.
The geometries,natural bond orbital(NBO),electron structures,dipole moment,inclusion energies and HOMO-LUMO energy gap and spin density were discussed at the same level.
采用B3LYP/GenECP方法,对内含式化合物Fe@(BN)24的不同对称性构型进行几何优化,找出了几种较稳定构型并讨论了它们的几何参数、布居分析、极化率、包含能、HOMO-LUMO能隙和自旋密度。
2.
The geometries, natural bond orbital, dipole moment, adiabatic ionization potential, inclusion energies, vibrational frequency, HOMO-LUMO energy gap and spin density were discussed at the same time.
31G*方法,对内含式化合物X@AJ12P12(X=Li0/+,Na0/+,K0/+,Be0/2+,Mg0/2+,Ca0/2+,H和He)的不同对称性构型进行计算,讨论其最稳定构型的几何参数、布居分析、偶极矩、电离势、包含能、频率、HOMO-LUMO能隙和自旋密度。
6) LUMO-HOMO energy gap
LUMO-HOMO能隙
补充资料：S-adenosyl-L-homo-cysteine
分子式：
CAS号：
性质：S-腺苷酰-L-甲硫氨酸进行甲基化后的产物。它可被水解生成L-高半胱氨酸和腺苷。
CAS号：
性质：S-腺苷酰-L-甲硫氨酸进行甲基化后的产物。它可被水解生成L-高半胱氨酸和腺苷。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条