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Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N_(2.molecule

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Science China(physics,Mechanics & Astronomy) 2005年第4期48卷 385-398页

作者： REN Weiyi1,2. SUN Weiguo1, HOU Shilin3.& FENG Hao4 1. Institute of physics, College of Chemical Engineering, Sichuan University, Chengdu 610065, China 2. Institute of Theoretical physics, Xihua {2. University, Nanchong 63.002. China 3. {3. of physics, China Oceanography University, Qingdao 2.6003. China 4. College of physics, Sichuan University, Chengdu 610065, China 1. Institute of physics College of Chemical Engineering Sichuan University 610065 Chengdu China 2. Institute of Theoretical physics Xihua Normal University 637002 Nanchong China 3. department of physics China Oceanography University 266003 Qingdao China 4. College of physics Sichuan University 610065 Chengdu China

It is usually very difficult to directly obtain molecular dissociation energy De and all accurate high-lying vibrational energies for most diatomic electronic states using modern experimental techniques or quantum theories, and it is also very difficult to give accurate analytical expression for diatomic molecular dissociation energy. This study proposes a new analytical formula for obtaining accurate molecular dissociation energy based on the LeRoy and Bernstein’s energy expression in dissociation limit. A set of full vibrational energy spectra for some electronic states of N2.molecule are studied using the algebraic method (AM) suggested recently, and the corresponding accurate molecular dissociation energies are evaluated using the proposed new formula and high-lying AM vibrational energies. The results show that the AM spectra and the new theoretical dissociation energies agree excellently with experimental data, and thereby providing a new physical approach to generating accurate dissociation energies for electronic states of diatomic molecules.

关键词： vibrational energy, dissociation energy, nitrogen molecule, algebraic method.

Fuzzy controllers based on some fuzzy implication operators and their response functions

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Progress in Natural Science:Materials International 2004年第1期14卷 16-21页

作者： LI Hongxing 1*, YOU Fei 1 and PENG Jiayin 2.1. department of Mathematics, Beijing normal University, Beijing 100875, China 2. department of Mathematics, Neijiang Teacher's College, Neijiang 641112. China) Beijing normal Univ Dept Math Beijing 100875 Peoples R China

The fuzzy controllers constructed by 2. fuzzy implication operators based on CRI algorithm and their response functions are discussed. The conclusions show that the fuzzy controllers constructed by 9 fuzzy implication operators are universal approximators to continuous functions and can be used in practical fuzzy control systems. And these 9 fuzzy implication operators except for Einstein operator intersection are all the adjoint pairs of some fuzzy implication operators. Besides, there are 3.other fuzzy controllers formed by fuzzy implication operators being regarded approximately as fitted functions.

关键词： fuzzy implication operators CRI algorithm fuzzy controllers response functions universal approximators

The joint limiting distribution of maxima with random indexes and sums of normal sequence

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西南师范大学学报（自然科学版） 1998年第5期23卷 1-6页

作者： Xie Shengrong department of Mathematics, southwest China {2. University,{3.

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Ｒｅｃｅｎｔｌｙ，ａｎｕｍｂｅｒｏｆｐａｐｅｒｓｈａｖｅｓｔｕｄｉｅｄｔｈｅｊｏｉｎｔａｓｙｍｐｔｏｔｉｃｉｎｄｅｐｅｎｄｅｎｔｐｒｏｐｅｒｔｉｅｓｏｆ∨ｎ１Ｘｉａｎｄｎ１Ｘｉｏｆｗｅａｋｌｙｄｅｐｅｎｄｅｎｔｓｔａｔｉｏｎａｒｙｓｅｑｕｅｎｃｅ｛...

关键词： joint limiting distribution maximum random index sum normal sequence

The Juancheng chondrite──A new meteorite falling recently in China

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Chinese Science Bulletin 1998年第21期43卷 1834-1837页

作者： CHEN Yongheng 1,2. WANG Daode+2.and WANG Ruitian+3.. department of Chemistry, Guangzhou {3. University, Guangzhou 510400, China 2. Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640, China 3. Heze Bureau of Seismolo department of Chemistry Guangzhou Normal University Guangzhou China Guangzhou Institute of Geochemistry Chinese Academy of Sciences Guangzhou China Heze Bureau of Seismology Shandong Province Heze China

The Juancheng chondrite, a new meteorite falling recently in Juancheng County, Shandong Province, China, is classified as an H5 (S2. chondrite based on the compositions of olivine (Fa= 19.2. σ Fa=0.46) and low-Ca pyroxene (Fs=16.9, σ Fa=0.4). The plagioclase in the Juancheng chondrite is rich in CaO, indicating a relatively high metamorphic temperature the parent body underwent.

关键词： Juancheng ordinary chondrite new meteorite.

Local and non-local sources of airborne particulate pollution at Beijing——The ratio of Mg/Al as an element tracer for estimating the contributions of mineral aerosols from outside Beijing

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Science China Chemistry 2005年第3期48卷 253-264页

作者： HAN Lihui1, ZHUANG Guoshun1,2.3. SUN Yele1 & WANG Zifa3.1. The Center for Atmospheric Environmental Study, department of Chemistry, Beijing normal University, Beijing 100875, China 2. Center for Atmospheric Chemistry Study, department of Environmental Science & Engineering, Fudan University, Shanghai 2.043., China 3. LAPC/NZC, Institute of Atmospheric {3., CAS, Beijing 10002., China 1. The Center for Atmospheric Environmental Study Department of Chemistry Beijing Normal University 100875 Beijing China 2. Center for Atmospheric Chemistry Study Department of Environmental Science & Engineering Fudan University 200433 Shanghai China 3. Institute of Atmospheric physics CAS LAPC/NZC 100029 Beijing China

A new element tracer technique has firstly been established to estimate the contri-butions of mineral aerosols from both inside and outside Beijing. The ratio of Mg/Al in aerosol is a feasible element tracer to distinguish between the sources of inside and outside Beijing. Mineral aerosol, inorganic pollution aerosol mainly as sulfate and nitrate, and organic aerosol are the major components of airborne particulates in Beijing, of which mineral aerosol accounted for 3.0}―67% of total suspended particles （TSP）, 10%―70% of fine particles （PM2.5）, and as high as 74% and 90% of TSP and PM2.5, respectively, in dust storm. The sources from outside Beijing contributed 62. （3.%―86%） of the total mineral aerosols in TSP, 69% （52.―90%） in PM10, and 76% （59%―93.） in PM2.5 in spring, and 69% （52.―83.）, 79% （52.―93.）, and 45% （7%―79%） in TSP, PM10, and PM2.5, respectively, in winter, while only2.% in summer and autumn. The sources from outside Beijing contributed as high as 97% during dust storm and were the dominant source of airborne particulates in Beijing. The contributions from outside Bei-jing in spring and winter are higher than those in summer, indicating clearly that it was related to the various meteorological factors.

关键词： mineral aerosol local sources non-local sources dust storm re-suspended dust element tracer technique.

K-uniformly rotund spaces and k-uniformly smooth spaces

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Chinese Science Bulletin 1998年第2期43卷 92-95页

作者： Suyalatu 1 and WU Congxin 2.1. department of Mathematics,Inner Mongolia normal University, Huhhot 01002., China 2. department of Mathematics, Harbin Institute of Technology, Harbin 150006, China department of Mathematics Inner Mongolia Normal University Huhhot China department of Mathematics Harbin Institute of Technology Harbin China

The conception of k_uniform smoothness (KUS) is introduced. It is the extension of the conception of uniform smoothness. It is proved that the k_uniform smoothness and Sullivan’s K_uniform rotundity (KUR) are the daul notions. X+* is a KUR space if and only if X is a KUS space, X+* is a KUS space if and only if X is a KUR space. If X is a KUS space, then X is a (K+1)US space. It is also proved that the KUS space includes the Nan’s k_strongly smooth space.

关键词： K_uniform smoothness K_uniform convexity.

A trust region algorithm for bilevel programing problems

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Chinese Science Bulletin 1998年第10期43卷 820-824页

作者： LIU Guoshan 1, HAN Jiye 2.and WANG Shouyang 3.1. department of Mathematics, Beijing normal University, Beijing 100875, China 2. Institute of Applied Mathematics, Chinese Academy of Sciences, Beijing 100080, China 3. Institute of Systems Science, Chi department of Mathematics Beijing Normal University Beijing China Institute of Applied Mathematics Chinese Academy of Sciences Beijing China Institute of Systems Science Chinese Academy of Sciences Beijing China

A trust region algorithm is proposed for solving bilevel programming problems where the lower level programming problem is a strongly convex programming problem with linear constraints. This algorithm is based on a tr... 详细信息

关键词： bilevel programming problem trust region algorithm global convergence.

Theoretical study on thermal decomposition of azoisobutyronitrile in ground state

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Science China Chemistry 2004年第5期47卷 373-380页

作者： SUN Chengke1,2. ZHAO Hongmei1 & LI Zonghe1 1. department of Chemistry, Beijing normal University, Beijing 100875, China 2. department of Chemistry, Qujing normal College, Qujing 655000, China 1. department of Chemistry Beijing Normal University 100875 Beijing China 2. department of Chemistry Qujing Normal College 655000 Qujing China

The thermal decomposition mechanisms of azoisobutyronitrile (AIBN) in the ground state have been investigated systematically. Based on the potential energy surfaces (PES) of various possible dissociation paths obtained using the semiempirical AM1 method with partial optimization, the density function theory B3.YP/6-3.1G* method was employed to optimize the geometric parameters of the reactants, the intermediates, the products and the transition states, which were further confirmed by the vibrational analysis. The obtained results show that the re- action process of the two-bond (three-body) simultaneous cleavage Me2.CN)C─ N=N─ C(CN)Me2. 2.e2.CN)C?+N2.is much more favorable than the reaction process of the two one- bond asynchronous cleavage Me2.CN)CN=N─C(CN)Me2.? Me2.CN)CN=N?+ Me2.CN)C?? Me2.CN)C?+ N2. It was suggested that the electron shrinking effect of double bond (─N=N─) in AIBN and the stabilities of the Me2.CN)C?radical as well as N2.molecule are main factors of leading to the reaction proceeding in the former pathway. The calculation results were consistent with all the experimental facts.

关键词： azoisobutyronitrile, radicals, thermal decomposition, density function theory (DFT).

Periodic Solutions for Second Order Systems at Resonance

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Acta Mathematica Sinica,English Series 1998年第4期14卷 433-440页

作者： Tang Chunlei, department of Mathematics, southwest {2. University,{3., China department of Mathematics Southwest Normal University 400715 Chongqing China

The existence and multiplicity results are obtained for periodic solutions of second order systems at resonance with unbounded nonlinearity. The proofs rely on the minimax methods and an interesting integral inequality.

关键词： Periodic solution Resonance Critical point The (PS) condition The saddle point theorem The generalized mountain pass theorem