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类锗烯H2C＝GeliCl与RH(R=F,OH,NH2)的插入反应

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物理化学学报 2008年第4期24卷 720-724页

作者：李文佐肖翠平宫宝安程建波烟台大学化学生物理工学院山东烟台264005

采用DFTB3lYP和QCISD方法研究了不饱和类锗烯H2C!GeliCl与RH(R=F,OH,NH2)的插入反应.在B3lYP/6-311+G(d,p)水平上优化了反应势能面上的驻点构型.结果表明,H2C!GeliCl与HF、H2O或NH3发生插入反应的机理相同.QCISD/6-311++G(d,p)//B3lYP/6-311+G(d,p)计算的三个反应的势垒分别为173.53、194.48和209.05kJ·mol-1,反应热分别为60.18、72.93和75.34kJ·mol-1.相同条件下发生插入反应时,反应活性顺序都是H—F>H—OH>H—NH2.

关键词：类锗烯H2C=GeliCl RH(R=F,OH,NH2) 插入反应 DFT QCISD

类硅烯H2SiClBeCl的结构及异构化反应

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物理化学学报 2008年第5期24卷 901-904页

作者：李文佐程建波宫宝安于健康孙家钟烟台大学化学生物理工学院吉林大学理论化学计算国家重点实验室长春130012

用DFT和QCISD方法研究了类硅烯H2SiClBeCl的构型与异构化反应.结果表明,类硅烯H2SiClBeCl有三种平衡构型,其中四面体构型能量最低,是其存在的主要构型.对平衡构型间异构化反应的过渡态进行了计算,求得了转化势垒.计算模拟了最稳定构型... 详细信息

用DFT和QCISD方法研究了类硅烯H2SiClBeCl的构型与异构化反应.结果表明,类硅烯H2SiClBeCl有三种平衡构型,其中四面体构型能量最低,是其存在的主要构型.对平衡构型间异构化反应的过渡态进行了计算,求得了转化势垒.计算模拟了最稳定构型的红外光谱.

关键词：类硅烯H2SiClBeCl B3lYP QCISD 异构化

溶液中类锗烯H2GeClMgCl的结构与异构化反应

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物理化学学报 2009年第1期25卷 121-125页

作者：李文佐程建波李庆忠宫宝安孙家钟烟台大学化学生物理工学院山东烟台264005 吉林大学理论化学计算国家重点实验室长春130012

用密度泛函理论(DFT)和QCISD(quadratic configuration interaction with single and double excitations)方法研究了类锗烯H2GeClMgCl在气相和五种溶剂中的构型与异构化反应.结果表明,类锗烯H2GeClMgCl有三种平衡构型.其中p-配合物型构型能量最低,是其存在的主要构型.讨论了溶剂效应对结构、能量与异构化反应的影响.计算模拟了最稳定构型的红外光谱.

关键词：类锗烯H2GeClMgCl B3lYP QCISD 异构化溶剂效应

不饱和类硅烯H_2C=SiMBr(M=li,Na)的DFT研究

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化学学报 2007年第16期65卷 1573-1577页

作者：李文佐宫宝安程建波肖翠平烟台大学化学生物理工学院烟台264005

采用密度泛函理论方法,在B3lYP/6-311G(d,p)水平上研究了不饱和类硅烯H2C=SiMBr(M=li,Na)的结构.结果表明,不饱和类硅烯H2C=SiliBr与H2C=SiNaBr各有三种平衡构型,其中非平面的p-配合物型构型能量最低,是这两种不饱和类硅烯存在的主要构... 详细信息

采用密度泛函理论方法,在B3lYP/6-311G(d,p)水平上研究了不饱和类硅烯H2C=SiMBr(M=li,Na)的结构.结果表明,不饱和类硅烯H2C=SiliBr与H2C=SiNaBr各有三种平衡构型,其中非平面的p-配合物型构型能量最低,是这两种不饱和类硅烯存在的主要构型.对平衡构型间异构化反应的过渡态进行了计算,求得了转化势垒.计算预言了最稳定构型的振动频率和红外强度.

关键词：不饱和类硅烯H2C=SiMBr(M=li,Na) B3lYP 异构化

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二氯代丁二烯的内旋转

烟台大学学报（自然科学与工程版） 2010年第3期23卷 183-187页

作者：肖翠平程建波李文佐宫宝安烟台大学化学生物理工学院山东烟台264005

采用DFT B3lYP方法和6-311G(d,p)基组研究了3种二氯代丁二烯分子((t,t)-1,4-DCBD,(c,c)-1,4-DCBD,2,3-DCBD)的内旋转.计算结果表明,3种分子发生内旋转的势能曲线具有相同的形状:在势能曲线上有2个能量极小点,分别为s-trans和s-gauche构... 详细信息

采用DFT B3lYP方法和6-311G(d,p)基组研究了3种二氯代丁二烯分子((t,t)-1,4-DCBD,(c,c)-1,4-DCBD,2,3-DCBD)的内旋转.计算结果表明,3种分子发生内旋转的势能曲线具有相同的形状:在势能曲线上有2个能量极小点,分别为s-trans和s-gauche构型;有2个过渡态构型;s-trans构型是能量最低构型.(c,c)-1,4-DCBD的s-trans构型比(t,t-)1,4-DCBD的s-trans构型稳定,与实验结果相符合.

关键词：二氯代丁二烯内旋转 B3lYP

The large Sky Area Multi-Object Fiber Spectroscopic Telescope (lAMOST)

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Research in Astronomy and Astrophysics 2012年第9期12卷 1197-1242页

作者： Xiang-Qun Cui Yong-Heng Zhao Yao-Quan Chu Guo-ping li Qi li li-ping Zhang Hong-Jun Su Zheng-Qiu Yao Ya-Nan Wang Xiao-Zheng Xing Xin-Nan li Yong-Tian Zhu Gang Wang bo-Zhong Gu A-li luo Xin-Qi Xu Zhen-Chao Zhang Gen-Rong liu Hao-Tong Zhang De-Hua Yang Shu-Yun Cao Hai-Yuan Chen jian-Jun Chen Kun-Xin Chen Ying Chen jia-Ru Chu lei Feng Xue-Fei gong Yong-Hui Hou Hong-Zhuan Hu Ning-Sheng Hu Zhong-wen Hu lei jia Fang-Hua jiang Xiang jiang Zi-bo jiang Ge Jin Ai-Hua li Yan li Ye-ping li Guan-Qunliu Zhi-Gang liu Huo-Ming Shi Zheng-Hong Tang Qing-Sheng Tao Xiang-Yan Yuan Chao Zhai Jing Zhang Yan-Xia Zhang Yong Zhang Ming Zhao Fang Zhou Guo-Hua Zhou Jie Zhu Si-cheng Zou National Astronomical Observatories Chinese Academy of Sciences Beijing 100012 China yzhao @ *** Nanjing Institute of Astronomical Optics and Technology National Astronomical ObservatoriesChinese Academy of Sciences Nanjing 210042 China University of Science and Tecfinologyof China Hefei 230026 China Shanghai Astronomical Observatory Chinese Academy of Sciences Shanghai 200030 China Institute of Architecture Design and Research Chinese Academy of Sciences Beijing 100190China

The large Sky Area Multi-Object Fiber Spectroscopic Telescope (lAMOST, also called the Guo Shou Jing Telescope) is a special reflecting Schmidt telescope. lAMOST’s special design allows both a large aperture (effective aperture of 3.6 m–4.9 m) and a wide field of view (FOV) (5°). It has an innovative active reflecting Schmidt configuration which continuously changes the mirror’s surface that adjusts during the observation process and combines thin deformable mirror active optics with segmented active optics. Its primary mirror (6.67m×6.05 m) and active Schmidt mirror (5.74m×4.40 m) are both segmented, and composed of 37 and 24 hexagonal sub-mirrors respectively. By using a parallel controllable fiber positioning technique, the focal surface of 1.75 m in diameter can accommodate 4000 optical fibers. Also, lAMOST has 16 spectrographs with 32 CCD cameras. lAMOST will be the telescope with the highest rate of spectral acquisition. As a national large scientific project, the lAMOST project was formally proposed in 1996, and approved by the Chinese government in 1997. The construction started in 2001, was completed in 2008 and passed the official acceptance in June 2009. The lAMOST pilot survey was started in October 2011 and the spectroscopic survey will launch in September 2012. Up to now, lAMOST has released more than 480 000 spectra of objects. lAMOST will make an important contribution to the study of the large-scale structure of the Universe, structure and evolution of the Galaxy, and cross-identification of multiwaveband properties in celestial objects.

关键词： techniques: wide field telescope - active optics - multi fiber - spectroscopy survey - data reduction

The In-Flight Realtime Trigger and localization Software of GECAM

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Research in Astronomy and Astrophysics 2024年第10期24卷 11-24页

作者： Xiao-Yun Zhao Shao-lin Xiong Xiang-Yang wen Xin-Qiao li Ce Cai Shuo Xiao Qi luo wen-Xi Peng Dong-Ya Guo Zheng-Hua An Ke gong Jin-Yuan liao Yan-Qiu Zhang Yue Huang lu li Xing wen Fei Zhang Jing Duan Chen-Wei Wang Dong-li Shi Peng Zhang Qi-Bin Yi Chao-Yang li Yan-Bing Xu Xiao-Hua liang Ya-Qing liu Da-li Zhang Xi-lei Sun Fan Zhang Gang Chen Huan-Yu Wang Sheng Yang Xiao-Jing liu Min Gao Mao-Shun li Jin-Zhou Wang Xing Zhou Yi Zhao Wang-Chen Xue Chao Zheng jia-Cong liu Xing-bo Han Jin-ling Qi jia Huang Ke-Ke Zhang Can Chen Xiong-Tao Yang Dong-Jie Hou Yu-Sa Wang Rui Qiao Xiang Ma Xiao-bo li ping Wang Xin-Ying Song li-Ming Song Shi-Jie Zheng Bing li Hong-Mei Zhang Yue Zhu Wei Chen jian-jian He Zhen Zhang Jin Hou Hong-Jun Wang Yan-Chao Hao Xiang-Yu Wang Zong-Yuan Yang Zhi-long wen Zhi Chang Yuan-Yuan Du Rui Gao Xiao-Fei lan Yan-Guo li Gang li Xu-Fang li Fang-Jun lu Hong lu Bin Meng Feng Shi Hui Wang Hui-Zhen Wang Yu-Peng Xu jia-Wei Yang Xue-Juan Yang Shuang-Nan Zhang Chao-Yue Zhang cheng-Mo Zhang Zhi-cheng Tang cheng cheng Key laboratory of Particle Astrophysics Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China University of Chinese Academy of Sciences Chinese Academy of SciencesBeijing 100049China School of Information Science and Technology Southwest Jiaotong UniversityChengdu 611756China Key laboratory of Stellar and Interstellar Physics and Department of Physics Xiangtan UniversityXiangtan 411105China Physics and Space Science College China West Normal UniversityNanchong 637002China Department of Astronomy Beijing Normal UniversityBeijing 100875China Innovation Academy for Microsatellites of CAS Shanghai 201203China Changchun University of Science and Technology Changchun 130022China Chinese Academy of Sciences South America Center for Astronomy National Astronomical ObservatoriesCASBeijing 100101China

Realtime trigger and localization of bursts are the key functions of GECAM,an all-sky gamma-ray monitor launched on 2020 December *** developed a multifunctional trigger and localization software operating in the CPU of the GECAM Electronic *** onboard software has the following features:high trigger efficiency for real celestial bursts with a suppression of false triggers caused by charged particle bursts and background fluctuation,dedicated localization algorithm optimized for both short and long bursts,and low time latency of the trigger information which is downlinked through the Global Short Message Communication service of the global BeiDou navigation *** paper provides a detailed description of the design and development of the trigger and localization software system for *** covers the general design,workflow,the main functions,and the algorithms used in the *** paper also includes on-ground trigger tests using simulated gamma-ray bursts generated by a dedicated X-ray tube,as well as an overview of the performance for real celestial bursts during its in-orbit operation.

关键词： telescopes instrumentation:detectors methods:observational

The first data release(DR1) of the lAMOST regular survey

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Research in Astronomy and Astrophysics 2015年第8期15卷 1095-1124页

作者： A-li luo Yong-Heng Zhao Gang Zhao li-Cai Deng Xiao-Wei liu Yi-Peng Jing Gang Wang Hao-Tong Zhang jian-Rong Shi Xiang-Qun Cui Yao-Quan Chu Guo-ping li Zhong-Rui Bai Yue Wu Yan Cai Shu-Yun Cao Zi-Huang Cao Jeffrey l.Carlin Hai-Yuan Chen jian-Jun Chen Kun-Xin Chen li Chen Xue-lei Chen Xiao-Yan Chen Ying Chen Norbert Christlieb jia-Ru Chu Chen-Zhou Cui Yi-Qiao Dong Bing Du Dong-Wei Fan lei Feng jian-Ning Fu Peng Gao Xue-Fei gong bo-Zhong Gu Yan-Xin Guo Zhan-wen Han bo-liang He Jin-liang Hou Yong-Hui Hou wen Hou Hong-Zhuan Hu Ning-Sheng Hu Zhong-wen Hu Zhi-Ying Huo lei jia Fang-Hua jiang Xiang jiang Zhi-bo jiang Ge Jin Xiao Kong Xu Kong Ya-Juan lei Ai-Hua li Chang-Hua li Guang-Wei li Hai-Ning li jian li Qi li Shuang li Sha-Sha li Xin-Nan li Yan li Yin-Bi li Ye-ping li Yuan liang Chien-cheng lin Chao liu Gen-Rong liu Guan-Qun liu Zhi-Gang liu wen-Zhi lu Yu luo Yin-Dun Mao Heidi Newberg Ji-Jun Ni Zhao-Xiang Qi Yong-Jun Qi Shi-Yin Shen Huo-Ming Shi Jing Song Yi-Han Song Ding-Qiang Su Hong-Jun Su Zheng-Hong Tang Qing-Sheng Tao Yuan Tian Dan Wang Da-Qi Wang Feng-Fei Wang Guo-Min Wang Hai Wang Hong-Chi Wang jian Wang jia-Ning Wang jian-ling Wang jian-ping Wang Jun-Xian Wang lei Wang Meng-Xin Wang Shou-Guan Wang Shu-Qing Wang Xia Wang Ya-Nan Wang You Wang Yue-Fei Wang You-Fen Wang Peng Wei Ming-Zhi Wei Hong Wu Ke-Fei Wu Xue-Bing Wu Yu-Zhong Wu Xiao-Zheng Xing ling-Zhe Xu Xin-Qi Xu Yan Xu Tai-Sheng Yan De-Hua Yang Hai-Feng Yang Hui-Qin Yang Ming Yang Zheng-Qiu Yao Yong Yu Hui Yuan Hai-bo Yuan Hai-long Yuan Wei-Min Yuan Chao Zhai En-Peng Zhang Hua-Wei Zhang jian-Nan Zhang li-Pin Zhang Wei Zhang Yong Zhang Yan-Xia Zhang Zheng-Chao Zhang Ming Zhao Fang Zhou Xu Zhou Jie Zhu Yong-Tian Zhu Si-cheng Zou Fang zuo National Astronomical Observatories Chinese Academy of Sciences Department of Astronomy Peking University Shanghai Astronomical Observatory Chinese Academy of Sciences Nanjing Institute of Astronomical Optics & Technology National Astronomical ObservatoriesChinese Academy of Sciences University of Science and Technology of China Department of Physics Applied Physics and AstronomyRensselaer Polytechnic InstituteTroyNY 12180USA Department of Physics and Astronomy Earlham CollegeRichmondIN 47374USA Universitt Heidelberg Zentrum für AstronomieLandessternwarteKnigstuhl 1269117 HeidelbergGermany Department of Astronomy Beijing Normal University Yunnan Observatories Chinese Academy of Sciences Purple Mountain Observatory Chinese Academy of Sciences

The large sky Area Multi-Object Fiber Spectroscopic Telescope（lAMOST） general survey is a spectroscopic survey that will eventually cover approximately half of the celestial sphere and collect 10 million spectra of stars, galaxies and QSOs. Objects in both the pilot survey and the first year regular survey are included in the lAMOST DR1. The pilot survey started in October 2011 and ended in June 2012, and the data have been released to the public as the lAMOST Pilot Data Release in August 2012. The regular survey started in September 2012, and completed its first year of operation in June 2013. The lAMOST DR1 includes a total of 1202 plates containing 2 955 336 spectra, of which 1 790 879 spectra have observed signalto-noise ratio（SNR） ≥ 10. All data with SNR ≥ 2 are formally released as lAMOST DR1 under the lAMOST data policy. This data release contains a total of 2 204 696 spectra, of which 1 944 329 are stellar spectra, 12 082 are galaxy spectra and 5017 are quasars. The DR1 not only includes spectra, but also three stellar catalogs with measured parameters： late A,FGK-type stars with high quality spectra（1 061 918 entries）, A-type stars（100 073 entries）, and M-type stars（121 522 entries）. This paper introduces the survey design, the observational and instrumental limitations, data reduction and analysis, and some caveats. A description of the FITS structure of spectral files and parameter catalogs is also provided.

关键词： techniques: spectroscopic survey—data release—catalog

Data release of the lAMOST pilot survey

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Research in Astronomy and Astrophysics 2012年第9期12卷 1243-1246页

作者： A-li luo Hao-Tong Zhang Yong-Heng Zhao Gang Zhao Xiang-Qun Cui Guo-ping li Yao-Quan Chu jian-Rong Shi Gang Wang jian-Nan Zhang Zhong-Rui Bai Xiao-Yan Chen Feng-Fei Wang Yan-Xin Guo jian-Jun Chen Bing Du Xiao Kong Ya-Juan lei Yin-Bi li Yi-Han Song Yue Wu Yan-Xia Zhang Xin-lin Zhou Fang zuo Peng Du lin He wen Hou Yi-Qiao Dong jian li Guang-Wei li Shuang li Jing Song Yuan Tian Meng-Xin Wang Yong-Hui Hou Zhi-Ying Huo Hong-Zhuan Hu Ning-Sheng Hu Zhong-wen Hu lei jia Fang-Hua jiang Xiang jiang Zi-bo jiang Ge Jin Ai-Hua li Qi li Yin-Dun Mao Zheng-Hong Tang Qing-Sheng Tao liang-ping Tu Da-Qing Wang Dan Wang jian-ping Wang lei Wang Shou-Guan Wang Shu-Qing Wang Ya-Nan Wang You Wang Yue-Fei Wang Ming-Zhi Wei Xiang-Xiang Xue Xiao-Zheng Xing ling-Zhe Xu Xin-Qi Xu Yan Xu De-Hua Yang Shi-Hai Yang Zheng-Qiu Yao Yong Yu Hui Yuan Chao Zhai En-Peng Zhang Jing Zhang li-ping Zhang WeiZhang Yong Zhang Zhen-Chao Zhang Ming Zhao Fang Zhou Yong-Tian Zhu Jie Zhu Si-cheng Zou National Astronomical Observatories Chinese Academy of Sciences Beijing 100012 China lal @ lamost o rg Nanjing Institute of Astronomical Optics and Technology National Astronomical ObservatoriesChinese Academy of Sciences Nanjing 210042 China University of Science and Technologyof China Hefei 230026 China Shanghai Astronomical Observatory Chinese Academy of Sciences Shanghai 200030 China Institute of Architecture Design and Research Chinese Academy of Sciences Beijing 100190China

This paper describes the data release of the lAMOST pilot survey, which includes data reduction, calibration, spectral analysis, data products and data access. The accuracy of the released data and the information about the FITS headers of spectra are also introduced. The released data set includes 319 000 spectra and a catalog of these objects.

关键词： techniques: spectroscopic survey — data reduction — data release