原子簇

原子簇是由中子和质子构成的。

Each atomic cluster is made up of neutrons and protons .

非晶态合金Fe-B局域电子结构的离散变分Xα原子簇研究

Discrete Variational X_ α Cluster Calculations of Local Electronic Structure for the Amorphous Fe-B Alloy

ⅥB族原子簇结构与电磁性质的研究

Studies on the Structural , Electronic and Magnetic Properties of ⅵ B Clusters

含杂六角密积结构原子簇Al（12）M的电子结构

Electronic structures of doped HCP clusters a1_ ( 12 ) m

CO和N2与铌原子簇结合能的光离解测量

Measurement of binding energies of CO and n_2 on niobium cluster surfaces with photodissociation

Znx（Sy）-原子簇离子的激光产生和质谱分析

Laser Generation and Mass spectrometry of Zn xS - y

多重散射Xα方法计算Na3原子簇的探讨

Calculation of the Na_3 cluster by the multiple scattering X α method

丁撑桥联蝶状铁硫原子簇配合物[（μ-ZS）Fe2（CO）6]μ-S（CH2）4-S-μ[（μ-ZS）Fe2（CO）6]的合成结构及构象

Synthesis , Structures and Conformation of Butylene-bridged Butterfly-shaped Fe & S Cluster Complexes

Cun原子簇的电子结构

Electronic structure of cu_o cluster

近年来，随着C（60）的发现，激起了越来越多的人们继续研究新型原子簇的热情，尤其是氮原子簇。

Recent years , the discovery of C60 has stimulated more and more people to research new polyatom clusters , especially polynitrogen cluster .

双核铁原子簇体系的CI计算

A Series of CI Calculations of Binuclear Iron Clusters

本文用多重散射波xa方法计算了含氧小镍原子簇的电子结构。

The electronic structure of small nickel cluster containing impurity oxygen was calculated by using of the SCF-Xa-SW method .

[Pt3（CO）6]n~（-2）原子簇合成过程的红外光谱表征

IR characterization of [ pt ,( co ) 3 ( co ) 3 ] - 2 cluster synthesis processes

原子簇配位催化作用中ATP驱动的电子传递

ATP - driven Electron - transfer in Cluster Coordination Catalyst

Sc（13）原子簇的结合能和电子结构

Binding Energy and Electronic Structure of Sc_ ( 13 ) Clusters

以C（60）为中心向两边的Cn原子簇，其UV谱发生红移。

From C_60 , as the center , to other C , clusters in two sides , the UV spectrum shows red shift .

Fe4S3原子簇与ATP的络合及电子传递与ATP水解的偶联

Complexation of Fe_4S_4 Cluster with ATP and Coupling of Electron Transfer With ATP Hydrolysis

利用SHIP－IN－BOTTLE技术在NaY分子筛中合成Ru8（CO）（12）原子簇

Synthesis of Ru_3 ( CO ) _ ( 12 ) Cluster in Zeolite NaY Using Ship-in-Bottle Technique

非晶态Co-B的局域电子结构的Xα原子簇计算

Dv-x_a cluster calculations of local electronic structure for amorphous Co-B alloy

Rh（13）原子簇的电子结构和磁性性质研究

The study on electronic structure and magnetic properties of rh_ ( 13 ) cluster

原子簇化合物Na2[Ni6（CO）（12）]用于制备高分散金属镍催化剂的研究

Novel highly dispersed nickel catalyst prepared from na_2 [ ni_6 ( co ) _ ( 12 ) ] for CO Methanation

有序化与原子簇聚过程同时发生，没有发现GP区的存在。

Ordering and clustering occur simultaneously , and no GP zones are found .

三核钼原子簇化合物的EPR和电子结构

EPR and electronic structure study of a Trinuclear Molybdenum Cluster

裸核过渡金属原子簇的电子结构与性质的DFT研究

Density Functional Theoretical Studies on the Electronic Structure and Properties of the Ligand-Free Transition-Metal Clusters

我们用原子簇计算的结果说明了结构变化的原因，也用分子轨道从头计算的结果说明了Tc的提高。

The structure change is explained by the results of atomic cluster calculation , and the increase of Tc can be interpreted by the calculation results with the ab initio MO method .

原子簇Ni3BP异构体结构与稳定性的DFT研究

DFT study on structures and stability for isomers of cluster Ni_3BP

Cu原子簇触发形核下的深过冷Ag-Ge合金组织演变研究

Microstructural Evolution of the Deeply Undercooled Ag-Ge Alloys with Cu Atoms Cluster Triggered Nucleation

原子簇NiBM结构及成键特性

Clusters NiB _M Molecular Structure and Bonding Character

扼要讨论了氨合成铁催化剂的原子簇活性中心本质，N2化学吸附的可能模式，以及在铁催化剂上氨合成缔合式机理的一些论据。

Cluster approach to the nature of active-center of ammonia-synthesis iron catalysts and probable modes of N2 chemisorption are briefly discussed together the associative and the dissociative mechanisms of ammonia synthesis reaction on iron catalysts .

利用DFT方法在B3LYP/Lan12dz水平下对原子簇NiFeB2的单、三重态的各种可能构型进行全参数优化。

Different configurations of cluster NiFeB_2 with single state and triple state have been calculated at B3LYP / Lan12dz level by DFT method .