Spectroscopy and molecule opacity investigation on excited states of SiS

The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.

Review of the Low-Lying Excited Baryons ∑^(*)(1/2^(-))

Strong empirical and phenomenological indications exist for large sea-quark admixtures in the low-lying excited baryons.Investigating the low-lying excited baryon ∑^(*)(1/2^(-))is important for determining the nature of the low-lying excited baryons.We review the experimental and theoretical progress on the studies of the ∑^(*)(1/2^(-)).

Multi-branched carbazole derivatives for two-photon absorption and two-photon excited fluorescence

Carbazole-core multi-branched chromophores 9-ethyl- 3, 6-bis （ 2- { 4- [ 5- （4-tert-butyl-phenyl） - [ 1, 3, 4 ] oxadiazol-2-yl ] - phenyl }-vinyl） -carbazole（3） and 9-ethyl-3-（ 2- {4-[ 5-（4-tert-butyl- phenyl） -[ 1, 3, 4 ] oxadiazol-2-yl ] -phenyl }-vinyl ） -carbazole （ 2 ） are synthesized through Wittig reaction and characterized by nuclear magnetic resonance（NMR）and infrared（IR）. The two- photon absorption properties of chromophores are investigated. These chromophores exhibit large two-photon absorption crosssections and strong blue two-photon excited fluorescence. The cooperative enhancement of two-photon absorption（TPA） in the multi-branched structures is observed. This enhancement is partly attributed to the electronic coupling between the branches. The electronic push-pull structures in the arm and their cooperative effects help the extended charge transfer for TPA.

中文Google与中文Excite检索寄生虫学专业文献的效果比较

目的对搜索引擎中文 Google与中文 Excite检索寄生虫学专业文献 ,特别是期刊论文的效果进行比较研究和效果评价。方法选取 1 0个本专业关键词组按其要求的检索语法组成提问式分别进行检索 ,对结果按相关度评分统计 ,以检索功能、查准率、检索便捷性、输出格式 4项指标比较分析了两个搜索引擎的检索性能与效果。结果发现功能上二者各有特长 ,查准率中文 Google高于中文 Excite。结论综合性能以中文 Google为优 ,同时提出可采用此类搜索引擎及改进的提问式作为免费检索中文期刊学术文献的有效途径。

基于EXCITE的曲轴系统扭转振动分析

以扭转振动作为优化目标,建立了EXCITE模型,仿真分析了不同飞轮惯量下的轴系扭振的变化规律,然后进行了不同的皮带轮惯量和扭转刚度系数对轴系扭振影响的理论研究,通过选用合理的扭振减振器参数对轴系扭振的影响做了进一步的分析。仿真结果为认识内燃机轴系扭振提供了较为全面的参考信息,对实际工程分析具有一定的指导意义。

基于AVL EXCITE Timing Drive的发动机配气正时分析前处理自动化开发

基于AVL EXCITE Timing Drive对发动机配气正时系统进行自动化二次开发,对各种不同布置的系统通过编写脚本程序建立对应的标准模型模板,运行脚本即可自动完成模型搭建与数据输入,无需逐个零件建模与数据赋予,显著减少了人工操作,大幅缩短了分析周期。

Excite搜索功能研究

Excite属于世界知名度很高的搜索引擎,其原因就在于它的检索功能多,检索速度快,检索人性化等,但也存在着不尽人意的地方。

Characterization of the Excited State on Methanol/Ti02（110） Interface

The electronic structure of methanol/TiO2（ll0） interface has been studied by photoemis- sion spectroscopy. The pronounced resonance which appears at 5.5 eV above the Fermi level in two-photon photoemission spectroscopy （2PPE） is associated with the photocatalyzed dissociation of methanol at fivefold coordinated Ti sites （Ti5c） on TiO2 （110） surface [Chem- ical Science 1, 575 （2010）]. To check whether this resonance signal arises from initial or intermediate states, photon energy dependent 2PPE and comparison between one-photon photoemission spectroscopy and 2PPE have been performed. Both results consistently sug- gest the resonance signal originates from the initially unoccupied intermediate states, i.e., excited states. Dispersion measurements suggest the excited state is localized. Time-resolved studies show the lifetime of the excited state is 24 fs. This work presents comprehensive char- acterization of the excited states on methanol/TiO2（110） interface, and provides elaborate experimental data for the development of theoretical methods in reproducing the excited states on TiO2 surfaces and interfaces.

搜索引擎Excite检索功能详述及评析

表述的重点在于通过对搜索引擎 Excite工作原理的介绍及各个检索功能的分析 ,获得关于它的整体认识 。

WWW检索引擎Excite的研究与利用

介绍了ＷＷＷ著名检索引擎Ｅｘｃｉｔｅ的发展及检索技术，针对其检索方式与检索特点进行了深入的分析研究，并在此基础上向用户介绍推荐了Ｅｘｃｉｔｅ的中文检索站点。

A Surface Femtosecond Two-Photon Photoemission Spectrometer for Excited Electron Dynamics and Time-Dependent Photochemical Kinetics

A surface femtosecond two-photon photoemission （2PPE） spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low energy photoelectrons are measured using a hemispherical electron energy analyzer with an imaging detector that allows us to detect the energy and the angular distributions of the photoelectrons simultaneously. A Mach-Zehnder interferom- eter was built for the time-resolved 2PPE （TR-2PPE） measurement to study ultrafast surface excited electron dynamics, which was demonstrated on the Cu（111） surface. A scheme for measuring time-dependent 2PPE （TD-2PPE） spectra has also been developed for studies of surface photochemistry. This technique has been applied to a preliminary study on the photochemical kinetics on ethanol/TiO2（110）. We have also shown that the ultrafast dynamics of photoinduced surface excited resonances can be investigated in a reliable way by combining the TR-2PPE and TD-2PPE techniques.

Experimental Investigation on Vibration Control of Rotor-bearing System with Active Magnetic Exciter

Vibration control is an efficient way to minimize a rotating machine’s vibration level so that its vibration fault-free can be realized.While,several factors,such as unbalance,misalignment and instability,contribute to the serious vibration of rotating machines.It is necessary that one apparatus can depress vibration caused by two or more reasons.The fault self-recovery(FSR) mechanism is introduced and investigated.Strategies of vibration control are investigated theoretically using numerical method firstly.Active magneticelectric exciter(AME) are selected as the actuator of a FSR device because it can provide suitable force by varying the control current in the exciters depending upon a proportional and derivative control law.By numerical study,it is indicate that only a small control force is needed to improve stability margins of the compressor and prevent subsynchronous vibration fault efficiently.About synchronous vibration,three control strategies,searching in whole circle,fast optimizing control(FOC),and none mistaking control,are investigated to show which of the control strategy can realize the fault self-recovery in the shortest time.Experimental study is conducted on a test rig with variable rotating speed.Results of the test indicate that the non-mistake control strategy can minimize synchronous vibration in less than three seconds.The proposed research can provide a new insight for subsynchronous and synchronous vibration restraining about centrifugal compressor.

Experimental and Theoretical Investigation on Excited State Intramolecular Proton Transfer Coupled Charge Transfer Reaction of Baicalein

The excited state intramolecular proton transfer （ESIPT） coupled charge transfer of baicalein has been investigated using steady-state spectroscopic experiment and quantum chemistry calculations. The absence of the absorption peak from S1 excited state both in the experi-mental and calculated absorption spectra indicates that S1 is a dark state. The dark excited state S1 results in the very weak fluorescence of solid baicalein in the experiment. The fron- tier molecular orbital and the charge difference densities of baicalein show clearly that the S1 state is a charge-transfer state whereas the S2 state is a locally excited state. The only one stationary point on the potential energy profile of excited state suggests that the ESIPT reaction of baicalein is a barrierless process.

Excited-State Proton Transfer and Decay in Hydrogen-Bonded Oxazole System： MS-CASPT2//CASSCF Study

Herein we have employed high-level multi-reference CASSCF and MS-CASPT2 electronic structure methods to systematically study the photochemical mechanism of intramolecularly hydrogen-bonded 2-（2＇-hydroxyphenyl）-4-methyloxazole. At the CASSCF level, we have optimized minima, conical intersections, minimum-energy reaction paths relevant to the excited-state intramolecular proton transfer （ESIPT）, rotation, photoisomerization, and the excited-state deactivation pathways. The energies of all structures and paths are refined by the MS-CASPT2 method. On the basis of the present results, we found that the ESIPT process in a conformer with the OH... N hydrogen bond is essentially barrierless process; whereas, the ESIPT process is inhibited in the other conformer with the OH... O hydrogen bond. The central single-bond rotation of the S1 enol species is energetically unfavorable due to a large barrier. In addition, the excited-state deactivation of the S1 keto species, as a result of the ultrafast ESIPT, is very efficient because of the existence of two easily-approached keto S1/S0 conical intersections. In stark contrast to the S1 keto species, the decay of the S1 enol species is almostly blocked. The present theoretical study contributes valuable knowledge to the understanding of photochemistry of similar intramolecularly hydrogen-bonded molecular and biological systems.

CONTROLLING EROSION OF SAFE BASIN IN NONLINEAR PARAMETRICALLY EXCITED SYSTEMS

This paper considers the dynamical behavior of a Duffing-Mathieu type system with a cubic single-well potential during the principal parametric resonance. Both the cases of constant and time-dependent excitation amplitude are used to observe the variation of the extent and the rate of the erosion in safe basins. It is evident that the appearance of fractal basin boundaries heralds the onset of the losing of structural integrity. The minimum value of control parameter to prevent the basin from erosion is given along with the excitation amplitude varying. The results show the time-dependence of excitation amplitude can be used to control the extent and the rate of the erosion and delay the first occurrence of heteroclinic tangency.

Separate Control of High Frequency Electro-hydraulic Vibration Exciter

The working frequency of the conventional electro-hydraulic vibration exciters,which consist of a servo valve and a hydraulic cylinder,is generally restricted within a narrow range due to limited frequency response capability of the servo valve itself.To counteract such restriction,a novel scheme for an electro-hydraulic vibrator,controlled by a two-dimensional valve（2D valve） and a bias valve in parallel,is therefore proposed.The frequency,amplitude and offset are independently controlled by rotary speed,axial sliding of the spool of the 2D valve and axial sliding of the spool of the bias valve.The principle of separate control was presented and the regulation approach of frequency,amplitude and offset was discussed.A mathematical model of the hydraulic power mechanism for the proposed vibration exciter was established to investigate the relationship between the amplitude and the axial sliding of the 2D valve＇ spool,as well as that between the offset and the axial sliding of the bias valve＇s spool at various frequencies.An experimental system was built to validate the theoretical analysis.It is verified that the 2D exciter is capable of working smoothly in a frequency range of 5- 200 Hz.And its frequency,amplitude and offset can be controlled respectively by either closed loop or open loop method.There is a linear relationship between the output amplitude and the spool axial opening of the 2D valve until a point when the flow rate becomes saturate and the amplitude remains constant.The offset displacement of the cylinder＇s piston is linearly proportional to the axial displacement of the spool of the bias valve,when the valve opening is less than 25%.Thereafter,the slop of the offset curve decreases and tends to saturate.The proposed electro-hydraulic vibration controlled by the 2D valve not only facilitates the realization of high-frequency electro-hydraulic vibration,the high-accuracy of vibration can also be achieved by means of independent controls to the frequency,amplitude and offset.

Mechanism of electro-hydraulic exciter for new tamping device

A new tamping device which is driven by an electrohydraulic exciter was proposed to overcome the limitations of mechanically driven devices.The double-rod oscillation cylinder drives the tamping arm to realize vibration.A new spin valve was designed in order to fulfill dynamic state requirements of the oscillation cylinder.Parametric analysis was carried out by establishing mathematic model.Then,the relationships among the structure of valve port and the frequency,amplitude,output shock force of the cylinder were researched.An experimental device of the electrohydraulic exciter was established to validate the theoretical results.The signals were acquired by AVANT dynamic signal analyser of vibration.The results show that new tamping device can satisfy all kinds of complex working conditions with the flexible adjustment of frequency and amplitude.

Crossed Molecular Beam Study of H＋CH4 and H＋CD4 Reactions： Vibrationally Excited CH3/CD3 Product Channels

We study the H＋CH4/CD4-＋H2/HD＋CH3/CD3 reactions using the time sliced velocity map ion imaging technique. Ion images of the CH3/CD3 products were measured by the （2＋1） resonance enhanced multi-photon ionization （REMPI） detection method. Besides the CH3/CD3 products in the ground state, ion images of the vibrationally excited CH3/CD3 products were also observed at two collision energies of 0.72 and 1.06 eV. It is shown that the angular distribution of the products CH3/CD3 in vibrationally excited states gradually vary from backward scattering to sideways scattering as the collision energy increases. Compared to the CH3/CD3 products in the ground state, the CH3/CD3 products in vibrationally excited states tend to be more sideways scattered, indicating that larger impact parameters play a more important role in the vibrationally excited product channels.

Si_2O_2 molecule:structure of ground state and the excited properties under different external electric fields

Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory （DFT） at the level of cc-pvtz and 6-311-k＋G^＊＊. It is found that the optimizing value by B31yp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si2O2 molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.