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原子与分子物理学报

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Mg-Al合金熔体中固液界面结构的分子动力学研究
Molecular dynamics study of solid-liquid interface structure in Mg-Al alloy melt

熊朝,李克,周耐根

非金属元素掺杂锐钛矿TiO2(101)表面对提升NH3光学气敏传感特性的影响
The influence of the non-metallic elements doped on the anatase TiO2(101) surface on the improvement of NH3 molecule optical gas sensing properties of the material

周清斌,冯庆,周康,田芸,刘鹏

镧系元素掺杂TiO2的电子和光学特性的第一性原理计算
The electronic and optical characteristics of lanthanide doped TiO2 from first-principles calculation

陈岩,宋有涛,吴琼,王君

钴络合物催化甲醇羰基化制甲酸甲酯反应的理论研究
Kinetic study for the reaction of carbonylation of methanol to methyl formate catalyzed by Co(II)-complex

成莉燕,张建辉,燕鹏华,慕红梅

原子核对光电离截面的影响
Influences of nucleus on atomic photoionization cross section

刘晓斌,师应龙,邢永忠,路飞平,李向兵,王玉平,桑萃萃

四氯化碳分子紫外多光子解离动力学的实验研究
An Experimental Investigation on Ultraviolet Multiphoton Dissociation Dynamics of Carbon Tetrachloride

汪小丽,姚关心,杨新艳,秦正波,郑贤锋,崔执凤

氧化石墨烯与淀粉样短肽相互作用的理论研究
Theoretical study of the interaction between graphene oxide and amyloid peptide

谢罗刚

掺杂ZnTe对电子结构与磁性质的影响
Magnetism and electronic structure of doping semiconductor ZnTe

刘远全

第一性原理研究Ni、V、Zr、N、P、S单掺杂及其共掺杂锐钛矿物相TiO2的电子结构和吸收光谱
First-principles Calculations of Electronic Structures and Adsorption Spectra of Ni,V,Zr,N,P,S - doped and co - doped Anatase TiO2

刘峥,王浩,韩佳星,张菁,张淑芬

m-BiVO4与t-BiVO4的电子结构和光学性质的第一性原理研究
First-principles study on the electronic structures and optical properties of m-BiVO4 and t-BiVO4

杨云飞,张晋敏,范梦慧,李鑫

均匀分布费米系统的组态路径积分蒙特卡罗模拟
Configuration Path Integral Monte Carlo Simulations of Uniform Fermion Systems

赵健,张斌

Cr掺杂ZnSe团簇稳定性和磁性质
Stability and magnetic properties of Cr-doped ZnSe clusters

陈红霞

钴铝共掺3C-SiC电子结构和磁性的第一性原理计算
First-principles Calculation of Electronic Structures and Magnetic Properties of Co, Al doped 3C-SiC

李鑫,范梦慧,杨云飞,谢泉

Nb-X(X=Y, Zr)共掺杂 SnO2电子结构的第一性原理研究
Study on Electronic Structure of Nb-X(X=Y, Zr) co-doped SnO2 by First-principles

张东

Cr1-xNbxSi2固溶体弹性性质、电子结构和光学性质的理论研究
Elastic, electronic and optical properties of Cr1-xNbxSi2 solid solutions by first principle calculations

陈万高,李亚萌,焦照勇

Eu原子4f76p3/2ns自电离衰变分支比和弹射电子角分布
Branching ratio and angular distribution of ejected electrons from Eu 4f76p3/2ns autoionizing states

王靖,沈礼,杨玉娜,戴长建

单原子Pt增强α-Mo2C (0001)抗硫中毒特性机理的第一性原理研究
First principles study on the mechanism of improving sulfur tolerance of α-Mo2C (0001) by single atom Pt

孔维孟,杨宗献,张喜林,张岩星,毛建军,王始彦

电荷共振增强电离和离解电离在H2+谐波辐射中的贡献
Contributions of charge-resonance-enhanced-ionization and dissociative ionization to high-order harmonic generation from H2+

刘航,冯立强

人为扰动的模型势函数及其动力学特征
The dynamics behavior of an artificially physical disturbance on a model potential energy surface

田雪芬,马建毅,邹林东,王君

基于三粒子GHZ态的双向量子可控隐形传态
Bidirectional quantum controlled teleportation based on three-particles GHZ entangled state

王贵祥,刘晓东,胡占宁

基于Topomer CoMFA的苯磺酰基亚胺噻唑衍生物的三维定量构效关系研究和分子设计
3D-QSAR studies of thiazolidenebenzenesulfonamide derivatives based on Topomer CoMFA method and molecular design

仝建波,秦尚尚,雷珊,王洋

二维缺陷GaAs电子结构和光学性质第一性原理研究
First-principles study on electronic structure and optical properties of Two-dimensional defect GaAs

褚玉金,张晋敏,陈瑞,田泽安,谢泉

石墨烯纳米片电子结构和量子输运特性第一原理研究
First-principles study on electronic structure and quantum transport property of graphene nanoplatelets

赵磊,孙伟峰,杨佳明

一组线性稠环芳香烃的等离激元激发
Plasmon Excitation in a Set of Linear Polycyclic Aromatic Hydrocarbons

陈广萍,尹海峰,岳莉

ZrRh晶体结构、弹性性质和电子结构的第一性原理研究
First principles study of crystal structural, elastic and electronic properties of ZrRh

陈佰树,李迦勒,宋佳齐,李源作

碱金属Li原子与CO分子体系相互作用势从头计算研究
An ab intito potential energy surface of alkali-metal lithium with CO molecule

吴永刚,令狐荣锋,徐梅,刘红玲,陈德良

人工局域表面等离激元诱导的超透射
Extraordinary Transmission Induced by Spoof Localized Surface Plasmon

张莉,赵茂雄,刘亮,孟岩,向红,何光宏,韩德专

铁磁性材料Fe3Si的微结构及消光规律研究
Structural Properties and Extinction Rules of Ferromagnetic Materials Fe3Si

谢晶,谢泉,刘栋,张？,马瑞,黄晋

(CuSe)n(n=1-10)团簇结构稳定性与磁性的理论研究
Theoretical Studies on the Structural Stability and Magnetism of (CuSe)n(n=1-10) Clusters

莫秋燕,张颂,吴家隐

内嵌水二聚体富勒烯(H2O)2@C84的基态性质与光谱特性
Ground state properties and spectral properties of endohedral water dimer fullerene (H2O)2@C84

杨月菊,蔡绍洪,沈虎峻,隆正文

乙炔分子的低能电子弹性散射研究
Low energy electron scattering with acetylene molecule

张浩兴,王克栋,郭双成,黄笑天

RbSinq(n=2-12;q=±1)团簇结构、稳定性与电子性质的理论研究
Theoretical study on the structures, stability and electronic properties of RbSinq(n=2-12;q=±1) clusters

哈申图雅,张帅,王？,李根全

Co2Bn (n = 1 - 8) 团簇几何结构的密度泛函理论研究
Geometries of the Co2Bn (n = 1 - 8) clusters: A density functional theory investigation

吴夏,魏征

三四五族元素掺杂对五元环石墨烯电学性能的影响
Adjusting electronic properties of penta-graphene with group Ⅲ-Ⅳ-Ⅴdopants

陈天航,潘风明,肖扬,袁佳仁,刘进超,曹浩

小分子吸附调控Ti掺杂石墨烯电子结构和磁性的密度泛函理论研究
A DFT study on tuning electronic structure and magnetic property of Ti doped graphene by small gas adsorption

马玲,马欢,张建宁,马良财,张建民

双能级系统中的光场驱动吸收特性和粒子布居调控
The regulation and control of absorption properties and population distribution in an optical coupling two-level system

张玮峰,苑青,李晓莉,尚雅轩,张连水

钍基碳化物ThC的高压结构稳定性研究
Structural stability of ThC under high pressure

胡翠娥,王艳,邓礼松

CO2在中性及带负电Be（n=4, 7, 10, 12, m=0, -1）团簇表面的吸附与解离
Adsorption and dissociation of CO2 on neutral and negatively charged Be（n=4, 7, 10, 12, m=0, -1）clusters

孟江,李淑萍,王继刚

醇类化合物热值改进剂结构和性质的理论研究
Theoretical study on Structure-Property Relationship of alcohols compound calorific value improver

牛丽芳,彭颖,周如金,郎春燕

单层石墨烯杨氏模量的理论模型
Theoreticaol model of Young's modulus of graphene

李旭艳,王静,吴荣

SiC在辐射场中的物理特性和光谱研究
Molecular Structure and Spectrum of Sic under the Radiation Fields

尹文怡,刘玉柱,张翔云,李炳生,秦朝朝

基于拉曼耦合Jaynes-Cumming-Paul模型的原子布居数反转动力学演化
Dynamical evolution of population inversion of Raman coupled Jaynes-Cumming-Paul model

朱泽群,林？？庆,徐学翔

两腿XXZ自旋梯子模型的量子相变与量子临界现象
Quantum phase transition and quantum critical phenomena in a spin-1/2 two-leg XXZ spin ladder model

李生好,雷国平

团簇ConAgm (n +m =13)表面吸附C2H4的第一性原理研究
First principles study of surface adsorption C2H4 on AgmCon(m+n=13) cluster

贾娜娜,宋述鹏,张远卓,周和荣,王今朝

温度和压强对金属化合物Co2Zr和Co2Ti的结构和热力学性质影响的研究
Temperature and Pressure effects on structural and thermodynamic properties of intermetallic compounds Co2Zr and Co2Ti

仲成,苑晓丽

H_ O_ N_ He原子掺杂Al原子的第一性原理研究
First-principles study of H, O, N and He atom doped interstitial sites of Al

唐崛,姬国勋,李振,丁雄,陈旭丹

Y，Zr，Nb 掺杂 SnO2电子结构的第一性原理研究
Study on Electronic Structure of Y，Zr and Nb doped SnO2 by first principles

伏春平,孙凌涛

Zn3V2O8和Zn2V2O7的电子结构与光学性能的第一性原理研究
First-Principles study on the electronic structure and optical properties of Zn3V2O8 and Zn2V2O7

张晓明,罗姣莲

Rb-N2(He)蒸气室压强及He、N2气渗漏测量
Pressure measurement of Rb-N2 (He) vapor chamber and gas permeation measurement of He and N2

尼亚孜艾力?努拉合买提,刘静,奥布力喀斯木.祖,戴康,普拉提.艾合买提

两原子相干共振能量传递的单次与N次能量提取
Single time and N times energy extraction of two atoms coherent resonance energy transfer

白小刚,张海明

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