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ISSN: 2333-9721
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原子与分子物理学报

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顺式羰基铑碘络合物催化甲醇制乙酸反应的动力学研究
Kinetic study for the reaction of methanol to acetic acid catalyzed by sic-Rh(I)-complex

冷艳丽,张建辉,刘婧,慕红梅,成莉燕,王永成

苯乙烯与苯酚反应的前线轨道理论分析
Frontier molecular orbital analysis on the reaction between styrene and phenol

何伟平,黄菊,王德堂,刘晓静

MgS和MgSe带隙的GW近似修正
Band gap correction of MgS and MgSe in GW approximation

朱晓玲,张金平,程新路,郑勇林

硫化氢在金属-有机骨架材料中吸附与分离的计算模拟
Computational Simulation of Adsorption and Separation for Hydrogen Sulfide in Metal-Organic Frameworks

王猛刚,李维学,戴剑锋,王青,翟尚宇

哈龙1211分子在外电场中的物理特性研究
Study on the physical characteristics of the Halon-1211 in the electrical fields

李静,刘玉柱,程启源,周志媛,陈飞,秦朝朝

Ca原子4s2-4s4p电子碰撞激发特性
Theoretical study on Electron Impact Excitation of Calcium

杨宁选,王雪燕,候娟,孙茂珠,曹海宾

太赫兹波段PCH7液晶分子极化率密度泛函研究
A DFT Study on the Polarizability Properties of Liquid Crystal PCH7 in the THz Range

陈泽章,蒋利娟

六方氮化硼单层有序缺陷和无序缺陷体系几何结构、电子结构和磁性性质的第一性原理计算
The geometry, electronic structure and magnetic properties of hexagonal boron nitride sheet with order defects and disorder defects: a first-principles study

唐梦宇,田星,高姗,何桢,王敏,周铁戈

胸腺嘧啶-水分子团簇结构特性研究
The Structural Properties Study on Thymine-water Molecules Clusters

李勇,周留柱,孔祥和

利用OMA谱仪测量飞秒激光的谐波光谱
A Measurement of the femtosecond laser harmonic spectrum by OMA spectrometer

王光昶,陈旭,梁栋,张建炜,郑志坚

高阶效应对超短艾里-高斯脉冲相互作用的影响
Effects of high order effects on the interaction of ultrashort Airy pulse with Gauss pulse

张魁,贾维国,王旭颖,朱坤占,于宇,张俊萍,门克内木乐

压强对液态InGaAs快速凝固过程中微观结构变化的影响
The Effect of Pressure on the Microstructure Change During Rapid Solidification of Liquid InGaAs

何帆,张晋敏,高廷红,梁永超,田泽安,郭笑天,卢顺顺,陈庆,谢泉

氦原子在啁啾激光与中红外组合场中产生的单个阿秒脉冲
Single attosecond pulse generated by model helium atom exposed to the combined field of an intense chirped laser pulse and midinfrared laser pulse

管仲,李伟,王国利,周效信

二维简谐势阱中旋转理想玻色气体热力学性质的修正
Corrections on thermodynamics of rotating ideal Bose gases confined in a two dimensional harmonic trap

李玉山

三硝基芳香族炸药的表面静电势、活化能与感度理论研究
A theoretical prediction of the relationships between the impact sensitivity and activation energy，electrostatic potential in Trinitro-aromatic- explosives

刘媛媛,李斌,赵光明,雷伟,樊白娟

具有三体相互作用海森堡自旋链模型的纠缠与几何失协
Quantum entanglement and geometric discord in the heisenberg spin chain with three-site interaction

杨晶,丛美艳,黄燕霞

水蒸气诱导聚电解质刷的构象转变
Switching of polyelectrolyte brushes by water vapor

赵新军,李祯

第一性原理研究CO在Cu(110)表面的吸附
First-Principles Study on the Adsorption of CO on Cu(110) Surface

杨新伟,赫丙玲,刘伟娜,徐国亮

异核双卤分子XY(XY=ClF, BrF ,BrCl)与C2H2相互作用的量子化学研究
Quantum Chemistry Study on the Interactions between XY(XY= ClF, BrF, BrCl) and Acetylene

罗骏,李晓凤,曹茂启,曾承露,代虹镜

应力场对多层膜Permalloy/Cu/Co/NiO铁磁共振性质影响的理论研究？
Ferromagnetic Resonance Property of Py/Cu/Co/NiO multilayer structures

王东,荣建红,张蕾,王焕

应力作用下GdTiO3磁序相变的第一性原理研究
Magnetic phase transition of GdTiO3 under epitaxial strain: A frist-principles study

陈志强,杨丽娟,崔磊

Pt10团簇催化肉桂醛选择性加氢反应机理的研究
Investigation on the Mechanisms for the Selective Hydrogenation Reaction of Cinnamaldehyde Catalyzed by Pt10 Clusters

李来才,彭丹,周红平,王徽

三维全息原子场作用失量用于苦味肽QSAR的研究
QSAR studies of Bitter tasting thresholds Three-dimensional Hol-ographic Vector of Atomic Interaction Field(3D-HoVAIF)

仝建波,李康楠,吴英纪,占培

GaP相变及热力学性质的理论研究
Theoretical study on phase transformation and thermodynamic properties of GaP

王海燕,郭凯琪,王彪,李丹

掺Ti对ZnO纳米颗粒的微观结构与光学特性的影响
Effects of Ti doping on microstructure and optical property of ZnO nanoparticles

张正中,刘昊,吴阳江

偶极-偶极相互作用下玻色-爱因斯坦凝聚体中涡旋的非线性动力学研究
Nonlinear Dynamics of Vorices in a Bose-Einstein Condendsate with Dipole-dipole Interaction

陈光平,郝加波

量子相空间中对称受驱双势阱系统的量子隧穿动力过程
Quantum dynamical tunneling process in symmetrical driven double well system based on phase space

徐峰,张磊

Fe9Si的电子结构及铁磁性质的第一性原理研究
First Principles Study on Electronic Structure and Ferromagnetic Properties of Fe9Si

谢晶,谢泉,刘栋,张？,马瑞,黄晋

GaSin(n=1-6)团簇结构和稳定性的第一性原理研究
First Principles Study on Geometries and Stabilities of Small GaSin(n=1-6) Clusters

杨阿平,温俊青,郭平

外电场下AgBr分子的结构及性质
The Structure and Properties of AgBr under an External Electric Field

尹跃洪,王莉

高离化Kr33+离子22P -n2S(2≤n≤9)的耦极跃迁行为
The behavior of 22P -n2S(2≤n≤9) dipole transition for highly charged Kr33+ ion*

王怡,么思萌,于爽,胡木宏,刘丽娟

Sc13团簇的稳定性和磁性研究
The study on the stability and magnetism of Sc13 cluster

张文杰,吴倩,郝玉华,孙厚谦

4-氨基-3,5-二硝基吡唑二聚体分子间相互作用的理论研究
Theoretical study on intermolecular interactions of 4-amino-3,5-dinitropyrazole dimers

赵国政

Mn和Co线性单原子链填充Cu纳米管的稳定性和磁性
Stability and magnetic properties of Mn and Co linear monoatomic chains encapsulated into copper nanotube

马良财,张建民

Dzyaloshinskii-Moriya相互作用和？荣魍讼喔啥匀？粒子XXZ海森堡系统的量子纠缠的影响
Effects of Dzyaloshinskii-Moriya interaction and intrinsic decoherence on quantum entanglement in a three-qubit XXZ Heisenberg system

丛美艳,杨晶,黄燕霞

金团簇结构的人工蜂群算法研究
The study of structures of gold clusters by Artifical Bee Colony algorithm

王全武,李喜全,陈恒杰,张家伟

HeH2+分子谐波辐射的空间分布
Spatial distribution of molecular harmonic generation from HeH2+

冯立强

第一性原理计算C掺杂金红石型TiO2的磁性和光学性质
First-principles calculations for the magnetisms and optical properties of C-doped rutile TiO2

李东翔,李瑞琴,覃信茂,郭笑天,李兴华,闫万？B

反式羰基铑碘络合物催化甲醇制乙酸反应的动力学研究
Kinetic study for the reaction of carbonylation of methanol to acetic acid catalyzed by trans-Rh(I)-complex

冷艳丽,张建辉,刘婧,穆红梅,成莉燕

原子分子在Pt(100)表面吸附的第一性原理研究
Atomic and molecular adsorption on Pt(100) surface: A first principles study

桑杰扎布,宋海珍,高枫洁,张帅,付玲,李根全

光镊与差动共焦显示术整合系统在蛋白质弹性研究中的应用
Application of the integrated system composed of optical tweezers and differential con-focal microscopy in protein elasticity research

娄本浊,孙彦清,黄朝军,徐晖

VO2+与CH3CHO反应机理的密度泛函研究
Reaction Mechanisms between VO2+ and CH3CHO : A DFT Insight

陈新,徐光年

从一维光晶格中释放的任意子噪声关联函数研究
Noise correlations in the expansion of one-dimensional anyon gases from a regular array

贺施洁,李艳

空间非均匀场下核间距对不对称分子谐波发射的影响
Internuclear distance effect on asymmetric molecular harmonic generation in the present of spatial inhomogeneous field

冯立强,刘航,孟凡顺

冲击加载下硅烷流体的导电特性研究
Research on Electrical Conductivity of Silane Fluid Under Multiple Shock-Compression

陈浩,刘福生,汪怡高,李勇,焦振,王文鹏

立方钙钛矿RbZnF3电子、弹性和光学性质的第一性原理研究
First principles study of electronic, elastic and optical properties of cubic perovskite RbZnF3

冯艳,刘丽,吐尔迪.吾买尔,谢宁

密度泛函理论研究多巴胺在纯的, Fe和Ca掺杂石墨烯材料表面的吸附机理
The Adsorption Mechanism Studies of Dopamine on Pure, Fe and Ca doped Graphene by Density Functional Theory

王群,孙玉希,崔书亚,周乃武,黄文,谢欣宏

Ni对Fe3Si化合物硬度影响的微观组织结构和电子结构研究
Study of microstructures and electronic structures for effect of Ni concentration on Fe3Si compounds

马瑞,李克用,周娟,任蕾,谢泉

基于密度泛函理论的叶绿素A性质的研究
Study on the nature of chlorophyll A based on density functional theory

林艳,刘芸,|魏晓楠,彭清维,于建成,唐延林

Ag-Cu双金属团簇中Ag原子偏析行为的分子动力学研究
Molecular Dynamics investigation on the Segregation behaviors of Ag atoms in Ag-Cu bimetallic clusters

梁小刚,李艽,张菁菁,刘艳琦,段海明

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