A TD-DFT study on the electronic absorption of MX_2(AsH_3)_2(M=Pd,Pt;X=Cl,Br,I);
以基态几何为基础,将TD-DFT方法用于计算标题配合物的电子吸收光谱。
Study on electronic absorption spectra of tetra(p-chloro)phenylporphyrin in glacial acetic acid;
四-(4-氯)苯基卟啉在醋酸中电子吸收光谱研究
The electronic absorption spectral properties were also studied.
咔唑分子经SN1烷基化、Friedel-Crafts双乙酰化和Claisen缩合3步反应,合成了标题化合物,其结构经元素分析、IR、1HNMR和MS表征,还研究了中间体和目标化合物的电子吸收光谱行为。
The electronic absorption spectra of 3 were also measured.
研究了3的电子吸收光谱。
Subsequently,the electronic absorption spectrum has been calculated using the time-dependent density func- tional theory(TD-DFT)approach at the same level.
在密度泛函理论的B3LYP/6-31+G~*水平上对硫靛染料发色体及其插烯系化合物的几何构型进行优化计算;在获得基态稳定结构的基础上,应用含时密度泛函理论在相同水平下计算其电子吸收光谱,探讨了发色体的延伸对电子吸收光谱的影响,得到了与实验值基本一致的变化规律。
Subsequently,the electronic absorption spectrum has been calculated by using the time-dependent density functional theory (TD-DFT) approach at the same level.
采用密度泛函方法(DFT)在B3LYP/631+G 水平上对一系列靛族染料发色体的几何构型进行优化计算;在获得基态稳定结构的基础上,应用含时密度泛函理论(TDDFT)在相同水平下计算其电子吸收光谱。
Subsequently, the electronic absorption spectrum was calculated using the time-dependent density functional theory (TD-DFT) approach at the same level.
在密度泛函理论(DFT)的B3LYP/6-31+G*水平上对硫靛染料发色体的几何结构进行优化计算,在获得基态稳定结构的基础上,应用含时密度泛函理论(TD—DFT)方法在相同水平计算电子吸收光谱。
The chance that an electron absorbs more than one photon is negligible.
一个电子吸收一个以上的光子的机会是极少的。
Theoretical Study on the Electronic Absorption Spectra of C_5 Cluster
纯C_5簇合物分子电子吸收光谱的理论研究
Theoretical Studies of Electronic Absorption Spectra on Tetracyanonickelate(II) Complex;
四氰合镍(Ⅱ)配合物电子吸收光谱的理论研究
Study on electronic absorption spectra of tetra(p-chloro)phenylporphyrin in glacial acetic acid;
四-(4-氯)苯基卟啉在醋酸中电子吸收光谱研究
classical theory of scattering and absorption of electromagnetic wave by electron
电子对电磁波散射和吸收的经典理论
The power supply for miniature tungsten coil electrothermal atomic absorption spectrometer
小型钨丝电热原子吸收光谱仪的电源
absorption EPR spectrometer
吸收电子顺磁共振频谱仪
Electronic Structure and Optical Absorption of Si-doped AlN System
Si掺杂AlN的电子结构和光吸收
Absolute determination of electron absorbed dose by an extrapolation chamber
用外推电离室绝对测定电子束吸收剂量
Research on Energy Levels and Far-Infrared Spectroscopy of Quantum Rings in a Magnetic Field;
磁场下量子环的电子态及远红外吸收谱的研究
Determination of high content Li in cathode materials of Li-ion battery by FAAS
原子吸收法测定锂离子电池材料中高含量锂
Effect of Time-Dependent Ionization on Dynamical Two-Photon Absorption Cross Sections of Molecular Media
含时电离对分子动态双光子吸收截面的影响
The velocity diffusion, current drive and wave absorption will result.
这可导致粒子的速度扩散、动电流及波的吸收。
Determination of Selenium in Serum by Hydride Atomic Absorption Method
氢化物电热原子吸收法测定人血清中的硒
This is in addition to general absorption characteristic of the free electrons.
这是附加在自由电子的普通吸收之上的。
Electromagnetic radiation with frequencies in the ultraviolet and visible region can be absorbed by molecules.
分子能吸收频率在紫外和可见光区的电磁辐射。
ELECTRON-PHONON COUPLING IN THE PROBLEM OF IMPURITY ABSORPTION BAND (Ⅰ)
杂质中心吸收宽带的电声子耦合问题(Ⅰ)
Quantitative Analysis of Boron by EPMA and Absorption Coefficient
硼的电子探针定量分析与质量吸收系数