STRUCTURES AND INTERNAL MOTION OF A Ne_3 CLUSTER

ＳＴＲＵＣＴＵＲＥＳＡＮＤＩＮＴＥＲＮＡＬＭＯＴＩＯＮＯＦＡＮｅ３ＣＬＵＳＴＥＲＸｉｅＷｅｎｆａｎｇＣｈｅｎＣｈｕａｎｙｕＤｅｐａｒｔｍｅｎｔｏｆＰｈｙｓｉｃｓ，ＧｕａｎｇｚｈｏｕＴｅａｃｈｅｒｓ′ｃｏｌｅｇｅＧｕａｎｇｚｈｏｕ５１０４００ＡＢＳＴ...     

G2 PREDICTION OF THE ENTHALPIES OF FORMATION FOR SOME DIATOMIC CATIONS AND NEUTRALS

Ｇ２ＰＲＥＤＩＣＴＩＯＮＯＦＴＨＥＥＮＴＨＡＬＰＩＥＳＯＦＦＯＲＭＡＴＩＯＮＦＯＲＳＯＭＥＤＩＡＴＯＭＩＣＣＡＴＩＯＮＳＡＮＤＮＥＵＴＲＡＬＳＳｕＫｅｈｅＤｅｐａｒｔｍｅｎｔｏｆＣｈｅｍｉｃａｌＥｎｇｉｎｅｒｉｎｇ，ＮｏｒｔｈｗｅｓｔｅｒｎＰｏｌｙ...     

THE MACQM CALCULATION OF THE TOTAL ENERGY CURVE FOR THE ICOSAHEDRAL CENTRAL STRUCTURE OF THE CLUSTER H_13~-

ＴＨＥＭＡＣＱＭＣＡＬＣＵＬＡＴＩＯＮＯＦＴＨＥＴＯＴＡＬＥＮＥＲＧＹＣＵＲＶＥＦＯＲＴＨＥＩＣＯＳＡＨＥＤＲＡＬＣＥＮＴＲＡＬＳＴＲＵＣＴＵＲＥＯＦＴＨＥＣＬＵＳＴＥＲＨ－１３ＺｈａｎｇＪｉａｎｐｉｎｇ＊ＬｉＰｉｎｇＧｏｕＱｉｎｇｑｕａｎＩｎｓｔ...     

LOW ENERGY TRIPLE DIFFERENTIAL CROSS SECTIONS FOR ELECTRON IMPACT IONIZATION OF HYDROGEN

ＬＯＷＥＮＥＲＧＹＴＲＩＰＬＥＤＩＦＦＥＲＥＮＴＩＡＬＣＲＯＳＳＳＥＣＴＩＯＮＳＦＯＲＥＬＥＣＴＲＯＮＩＭＰＡＣＴＩＯＮＩＺＡＴＩＯＮＯＦＨＹＤＲＯＧＥＮＣｈｅｎＺｈａｎｇｊｉｎａ，ｂＸｕＫｅｚｕｎｂＸｕＦｕｘｉｎａａＤｅｐａｒｔｍｅｎｔｏｆＰｈｙ...     

RELATIVISTIC CALCULATION OF IONIZATION ENERGIES FOR TITANIUM IONS Ti Ⅰ TO Ti XXII

ＲＥＬＡＴＩＶＩＳＴＩＣＣＡＬＣＵＬＡＴＩＯＮＯＦＩＯＮＩＺＡＴＩＯＮＥＮＥＲＧＩＥＳＦＯＲＴＩＴＡＮＩＵＭＩＯＮＳＴｉⅠＴＯＴｉＣｈｅｎＢｏ１，２ＴａｎＭｉｎｇｌｉａｎｇ２ＪｉａｎｇＧａｎｇ２ＺｈｕＺｈｅｎｇｈｅ２ＺｈａｏＹｏｎｇｋｕａｎ３１Ｉｎ...     

MEASUREMENTS OF Fe AND Cu K-Shell IONIZATION CROSS SECTIONS BY SLOW ELECTRON IMPACT

ＭＥＡＳＵＲＥＭＥＮＴＳＯＦＦｅＡＮＤＣｕＫ－ＳｈｅｌＩＯＮＩＺＡＴＩＯＮＣＲＯＳＳＳＥＣＴＩＯＮＳＢＹＳＬＯＷＥＬＥＣＴＲＯＮＩＭＰＡＣＴＬｉＴａｉｈｕａＡｎＺｈｕＬｕｏＺｈｅｎｇｍｉｎｇＣｅｎｔｅｒｆｏｒＲａｄｉａｔｉｏｎＰｈｙｓｉｃｓ，Ｉｎｓ...     

THE REFLECTIVITY CALIBRATION AND APPLICATIONOFXRAYGRAZINGMIRROR

ＴＨＥＲＥＦＬＥＣＴＩＶＩＴＹＣＡＬＩＢＲＡＴＩＯＮＡＮＤＡＰＰＬＩＣＡＴＩＯＮＯＦＸＲＡＹＧＲＡＺＩＮＧＭＩＲＲＯＲＭａＨｏｎｇｌｉａｎｇＳｕｎＫｅｘｕＹｉＲｏｎｇｑｉｎｇＣｕｉＹａｎｌｉＺｈｅｎｇＺｈｉｊｉａｎＴａｎｇＤａｏｙｕａｎＳｏｕｔｈｗ...     

DYNAMIC DESCRIPTION OF ION CLOUD IN RF TRAP

ＤＹＮＡＭＩＣＤＥＳＣＲＩＰＴＩＯＮＯＦＩＯＮＣＬＯＵＤＩＮＲＦＴＲＡＰＭａｎＢａｏｙｕａｎ１ＷａｎｇＸｉａｎｇｔａｉ２ＨｕＸｉｅｒｏｎｇ１ＺｈｕＪｕｎｋｏｎｇ２１ＤｅｐａｒｔｍｅｎｔｏｆＯｐｔｉｃｓｏｆＳｈａｎｄｏｎｇＵｎｉｖｅｒｓｉｔｙＪｉｎａ...     

THE MACQM CALCULATION OF THE TOTAL ENERGY CURVE OF THE BODY-CENTERED CUBIC STRUCTURE OF THE H_9~- CLUSTER

ＴＨＥＭＡＣＱＭＣＡＬＣＵＬＡＴＩＯＮＯＦＴＨＥＴＯＴＡＬＥＮＥＲＧＹＣＵＲＶＥＯＦＴＨＥＢＯＤＹ－ＣＥＮＴＥＲＥＤＣＵＢＩＣＳＴＲＵＣＴＵＲＥＯＦＴＨＥＨ－９ＣＬＵＳＴＥＲＧｏｕＱｉｎｇｑｕａｎＺｈａｎｇＪｉａｎｐｉｎｇＬｉＰｉｎｇＩｎｓｔｉｔｕ...     

IONIZATION POTENTIAL OF THE LITHIUMLIKE GROUND STATES FROM Z=21 to 30

ＴＨＥＯＲＥＴＩＣＡＬＣＡＬＣＵＬＡＴＩＯＮＯＦＡＴＯＭＩＣＡＮＤＭＯＬＥＣＵＬＡＲＤＡＴＡＰｅｉＣｈｕｎｃｈｕａｎＰｕｒｐｌｅＭｏｕｎｔａｉｎＯｂｓｅｒｖａｔｏｒｙＡｃａｄｅｍｉａＳｉｎｉｃａＮａｎｊｉｎｇ２１０００８ＡＢＳＴＲＡＣＴＢｙｕｓｉｎ...     

First-principle calculations of the experimental vibrational spectrum of a surface adsorbate: anharmonic resonance coupling between fundamental and binary modes

By including relevant physical properties in our modeling of a surface adsorbate system we can, from first principles, correctly calculate all experimentally observed features in the vibrational spectrum of CH3CH2O- and CD3CH2O- adsorbed on Cu(100). That is, we reproduce the number of observed modes, the vibrational frequencies, and intensities of the modes including the presence/absence of binary overtone and combination modes. No scaling was performed. Our calculations show that the anharmonic terms of the potential energy surface of free ethanol are transferrable to the corresponding surface adsorbate, ethoxy, while the harmonic terms are not.     

埋点靶中CH薄膜的制备工艺研究

 CH薄膜的制备是埋点靶制备的关键技术之一,本文主要研究了钨丝辅助裂解制备CH薄膜的制备工艺。研究表明蒸发舟温度和衬底温度对沉积速率影响较大,而衬底距离对沉积速率影响较小;红外光谱和质谱分析表明薄膜的主要成分是聚对二甲苯。     

开放式长光程傅里叶变换红外光谱系统在环境气体分析中的应用

设计了一套用于环境气体分析的长开放光路傅里叶变换红外光谱系统。该系统具有往返250 m的开放式长距离采样光程,使用一台分辨率为1 cm-1的傅里叶变换红外光谱仪测量采样路径内的大气透过率光谱,然后进行非线性最小二乘光谱拟合,计算出待测组分浓度。实验部分通过选择特定波段分析了污染空气中CH₄,CO,N₂O和CO₂的浓度,拟合残差的均方根误差小于1％。结果表明,该系统的结构简单,光路易于校准,环境适应性良好,测量速度快,采样范围广,可用于探测大气中一些重要的痕量和微量组分,开展较大区域的环境气体的监测和研究。     

CH_4-CO_2二元系低温分离方案的可行性探讨

通过对CH4-CO2二元系进行相图分析,得出低温分离脱除CO2的两种方案,一是气液分离,一是气固分离。采用闪蒸分离的方法来研究气液分离方案的可行性,利用HYSYS软件对二元系进行了闪蒸分离的计算分析,结果表明闪蒸分离难以同时保证较高的甲烷回收率和甲烷纯度,从而证明了气液分离方案不可行。根据气固相平衡计算得出了CH4-CO2二元系中CO2的结霜温度图,据图分析了气固分离方法的可行性,结果表明凝华分离方案可以达到带压液化天然气流程的要求,因而是可行的。     

Charged particle oscillator and hollow cathode He(II) lamps for high resolution photoelectron studies: C 2 s spectrum of CH 4 and Hg 5 d5/2 spectrum of (CH 3) 2Hg

Charged particle oscillator and hollow cathode He discharge lamps are described, and the performances of the two lamps in the same spectrometer are compared. Both lamps give high percentages of He(II) radiation, but the hollow cathode lamp gives higher overall He(I) and He(II) intensifies and has greater long term stability. The observed resolution for He(II) studies (～ 25 meV) is the same for both lamps. The C 2 s spectrum of CH ₄ and the Hg 5 d_5/2 spectrum of (CH ₃) ₂Hg demonstrate the performance of the hollow cathode lamp. In the CH ₄ spectrum, a vibrational progression is observed, and attributed to the totally symmetric stretching mode. The linewidth of individual components increases at higher binding energy. The high resolution of the (CH ₃) ₂Hg spectrum enables us to identify additional peaks not previously seen in this spectrum. The Hg 5 d orbital energy-ordering for Me ₂Hg is reassigned.     

Jahn-Teller effect in the methane cation: Rovibronic structure and the geometric phase

The rovibronic structure in the photoelectron spectrum of CH4 has been assigned in infrared-vacuum ultraviolet double-resonance experiments and analyzed using an effective tunneling-rotation Hamiltonian. Comparison of theoretical and experimental level structures of CH4+ reveals the effect of the geometric phase and establishes that at low energies, the structure and dynamics are governed by a large-amplitude tunneling motion connecting equivalent minima of C(2v) geometry. The rotationless ground state of CH4+ is a tunneling doublet of triply degenerate levels and the lowest level has rovibronic symmetry F2. The adiabatic ionization energy of CH4 is 101753.0(15) cm(-1).     

一种新的DEPT 谱编辑方法

提出一种新的基于多元线性回归计算的无畸变极化转移增益法(DEPT)谱编辑方法．该方法使用多元线性回归对谱图中的杂信号进行拟合,获得最佳拟合系数,然后将拟合系数代入拟合公式,通过该公式对DEPT 子谱进行计算,去除杂信号,最终分别得到纯净的CH₃、CH₂、CH 子谱图．实验结果证明,使用新方法对DEPT 谱进行编辑能够很好地减少杂信号的干扰,得到只含有CH_n 信号的子谱．新方法为碳谱的解析尤其是复杂和密集的谱线的解析提供了方便．     

光纤瓦斯传感系统的研制

利用光电检测理论和波分复用技术，研制出安全型光纤瓦斯传感器。系统传感头利用CH4气体在1.331μm处的谐波吸收谱工作。系统采用双波长差分吸收的工作方式，其参考波长为1.27μm，消除了非光吸收的其他散射和微扰等影响。由微机用软件控制12位A／D／A转换卡进行数据采集与处理，系统分辨率达0.001％，实现了实时显示。该系统不仅能对瓦斯气体进行准确检测，而且由于采用了光学测量的方式，所以既安全又可靠，不仅可以应用于煤矿矿井内的瓦斯气体含量的实时测量，还可以实现远程监控。     

多种含硫溶液钝化(100)GaAs表面的实验研究

为实现GaAs表面的钝化,以Na2S、(NH4)2S、CH3CSNH2为主要研究对象,通过对比实验研究得出较为理想的湿法钝化液。通过光致发光(PL)谱研究了(NH4)2S 叔丁醇、CH3CSNH2 NH4OH、CH3CSNH2 叔丁醇三种不同含硫溶液钝化(100)GaAs表面后的发光特性。PL谱测试发现,(NH4)2S 叔丁醇饱和溶液处理过的(100)GaAs表面光致发光强度最强,PL谱的相对发光强度是未做钝化处理的10倍左右。因此得出(NH4)2S 叔丁醇饱和溶液是较为理想的(100)GaAs表面钝化液。     

乙胺分子的多光子电离过程质谱研究

报道了乙胺分子在４４０～４７５ｎｍ波长范围内多光子电离（ＭＰＩ）质谱（ＭＳ）研究结果。碎片离子主要由母体离子碎裂模式产生。母体离子ＣＨ３ＣＨ２Ｎ＋·Ｈ２由经３ｓ里德堡态的（２＋２）共振多光子电离产生后，大部分发生β键断裂，形成ＣＨ２＝Ｎ＋Ｈ２离子，还有一部分再吸收一个光子，通过Ｃ－Ｈ（ＣＨ２）键的断裂产生了ＣＨ３ＣＨ＝Ｎ＋Ｈ２离子。ＣＨ３ＣＨ＝Ｎ＋Ｈ２和ＣＨ２＝Ｎ＋Ｈ２离子最容易发生的碎裂过程是脱去氢分子，分别产生Ｃ２Ｈ４Ｎ＋（分子式）离子和ＣＨ≡Ｎ＋Ｈ离子。