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《Acta Armamentarii》 1987-02
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THE SYNTHESIS AND ELECTRONIC STRUCTURE OF 1, 3, 3, 5, 7, 7-HEXANITRO-1, 5-DIAZACYCLOOCTANE

Chen Boren Xiao Heming Li Yongfu  
This paper describes the synthesis of a new energetic compound 1,3, 3.5.7, 7-hexanitro-1, 5-diazacyclooctane. We give its electronic structure, by computation, in experimental configuration, by the SCF-CNDO/2 method with Slater's and standard orbital exponents ζ. The computed results are in accordance with the experimental facts based on its thermal decomposition and the mass spectra.
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【References】
Chinese Journal Full-text Database 1 Hits
1 Chen Boren (Beijing Institute of Technology, Beijing)Xiao Heming, Li Yongfu (East China Institute of Technology, Nanjing);The Syntheses, Properties and Electronic Structure of the Eight-Membered Ring Explosives Containing N-NO and Gem-dinitro Groups[J];Chemical Research In Chinese Universities;1988-09
【Citations】
Chinese Journal Full-text Database 2 Hits
1 XIAO HE-MING WANG ZUN-YAO YAO JIAN-MIN (East China Engineering Institute,Nanjing);QUANTUM CHEMICAL STUDY ON SENSITIVITY AND STABILITY OF AROMATIC NITRO EXPLOSIVES——Ⅰ.NITRO DERIVATIVES OF AMINOBENZENES[J];Acta Chimica Sinica;1985-01
2 Xiao He-Ming~* Feng Bei-Lei Li Yong-Fu Deng Ya (East China Institute of Technology, Nanjing);The ab initio Calculations of Nitroalkane Molecules[J];Acta Chimica Sinica;1986-12
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 Jin Guishun(Division of Basic Courses);Theory Study on the Activition Energy and Mechanism of Olefins'Double Bond Isomerization[J];JOURNAL OF ANSHAN INSTITUTE OF IRON AND STEEL TECHNOLOGY;1995-03
2 Wang Chuankui/Department of Physics, Beijing Normal UniversityXu Wantang/Department of Physics, Beijing Normal University;Calculation of EL2 Energy Level and Optical Cross Section[J];Chinese Journal of Semiconductors;1990-12
3 Xiao Heming Wang Zunyao;ESTIMATION OF BOND DISSOCIATION ENERGY IN CONJUGATED MOLECULES FROM THE π-BOND ORDER[J];Acta Armamentarii;1986-03
4 Xiao Heming Li Yongfu Zhou Kouhong Fan Jianfen (East China Institute of Technology);BANDING AND ELECTRONIC STRUCTURE OF CELLULOSE TRINITRATE[J];Acta Armamentarii;1991-04
5 Tang Zehua Xiao Heming Li Yongfu Wang Daxi (Nanjing University of Science & Technology);A STUDY ON THE GEOMETRY AND ELECTRONIC STRUCTURE OF DDNP[J];Acta Armamentarii;1993-02
6 Ren Jingqing, Li Lemin, Wang Xiuzhen, Hsu Kwanghsien Department of Chemistry;The INDO Method Applicable to the Electronic Structure Calculation of Lanthanide Compounds I. The Formulas Required for Computer Programming[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1982-03
7 Ren Jingqing, Li Lemin, Wang Xiuzhen, Hsu. Kwanghsien Department of Chemistry;The INDO Method Applicable to the Electronic Structure Calculation of Lanthanide Compounds Ⅱ.The Selection of Parameters and the Computer Program[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1982-03
8 Li Jian, Ren Jingqing, Chen Minbo, Xu Guangxian (Department of Chemistry);A Localized INDO Method Including d and f AO's into the Basis Set[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1989-02
9 Lü Chongxian Beijing Institute of Chemical Technology Zhao Changhui, Wang Qingwen, Yuan Lübing Dalian Institute of Technology;Quantum Chemistry Study of Anti-Cancer Drug Thioproline and Its Derivates[J];;1986-01
10 Lu Chongxian (Beijing Instiute of Chemical Technology) Ye Xueqi (Beijing Craduate School, Academia Sinica) Zhao Bangrong(Beijing Institute of Chemical Techology);A Study of Electronis Structure of Allyl Alcohol-Cu(Ⅰ)[J];;1991-01
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