位置：成果数据库 > 期刊 > 期刊详情页
What is the Shape Effect on the (Hyper)polarizabilities? A Comparison Study on the M?bius, Cyclic, a
  • 时间：0
  • 相关项目：电子化合物及相关体系的结构与非线性光学性质研究
同期刊论文项目
电子化合物及相关体系的结构与非线性光学性质研究
期刊论文 38
同项目期刊论文
Theoretical study of the structure and pi-H bond properties for dimers of halogenated ethene with hy
An ab initio theoretical predication:characteristic of structure and properties for A Pi-dihydrogen
Structures and Large NLO Responses of New Electrides: Li-doped Fluoroca. rbon Chain, Hong-Liang
Structural and Electronic Properties of Boron-DopedLithium Clusters: Ab Initio and DFT Studies
Effect of the complexant shape on the large first hyperpolarizability of alkalides Li+(NH3)4M-.
Asymmetrical linear structures including three-electron hemibonds or other interactions in the (ABA)
Unusual halogen-bonded complex FBrδ+…δ+BrF and hydrogen-bonded complex FBrδ+…δ+HF formed by interact
Characteristics of antiaromatic ring pi multi-hydrogen bonds in (H2O)(n)-C4H4 (n = 1, 2) complexes.
Structures and Properties of π Br-Bond in Complexes C2H4-nFn–BrF (n = 0–2)
Theoretical study on the COCL2...NH3 and COCl2...H2S Complexes.
Lithium Salt Electride with Excess Electronic Pair-A Class of Nonlinear Optical Molecules for Extrao
The charge transfer anion-radical alkali-metal salts M+TCNQ·– (M=Li, Na, K): the structures and stat
Royal crown-shaped electride Li-3-N-3-Be containing two superatoms: New knowledge on aromaticity.
The Structure and the Large Nonlinear Optical Properties of Li@Calix[4]pyrrole
Compounds of Superatom Clusters: Preferred Structures and Significant Nonlinear Optical Properties o
Novel superalkali superhalogen compounds (Li-3)(+)(SH)(-) (SH=LiF2, BeF3, and BF4)with aromaticity:
Li-3-O-Li-3 molecule: A metal-nonmetal-metal sandwichlike compound with a distending electron cloud.
Characterization of solvated electrons in hydrogen cyanide clusters: (HCN)(n)(-) (n=3, 4).
The trigonal bipyramidal MN3M species: A new kind of aromatic complex containing a multiple-fold aro
What is the role of the complexant in the large first hyperpolarizability of sodide systems Li(NH3)n
Do single-electron lithium bonds exist? Prediction and characterization of the H3C center dot center
Cyclobutadiene complexed with Li atom and the effects of substituting by F atom in LiC4H4.
Large Static First Hyperpolarizabilities Dominated by Excess Electron Transitions for New Electrides
Extraordinary Superatom Containing Double Shell Nucleus: Li(HF)3Li Connected Mainly by Intermolecula
Prediction and characterization of a new kind of alkali–superhalogen species with considerable stabi
Nonlinear optical properties of alkalides Li+(calix[4]pyrrole)M-(M = Li, Na, and K): Alkali anion at
The Inter-ring σ/(π/π) Covalent Interactions of Cyclodimes of Benzenes,
Structures and Considerable Static First Hyperpolarizabilities: New Organic Alkalide (M+@n6adz)M′– (
含碱金属分子簇体系的结构和NLO性质
He2F^-体系的分子间相互作用势能面
COCl2…NH3和COCl2…H2S体系的理论研究
配体数与电子化物的一阶超极化率的碱金属原子序数依赖性
从头计算理论预测：带有二级相互作用的双π-H键复合体H2O…C2H4…H2O的结构特征和氢键性质