| 多氯取代对二苯并呋喃结构和电荷分布影响的量子化学研究 |
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| 引用本文： | 苏忠民,盛连喜,赵宝忠, 王东仁,李金昶.多氯取代对二苯并呋喃结构和电荷分布影响的量子化学研究[J].化学研究与应用,1995(2). |
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| 作者姓名： | 苏忠民 盛连喜 赵宝忠 王东仁 李金昶 |
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| 作者单位： | 东北师范大学化学系，东北师范大学测试中心 |
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| 摘 要： | 多氯取代对二苯并呋喃结构和电荷分布影响的量子化学研究苏忠民，盛连喜，赵宝忠（东北师范大学化学系，长春１３００２４）王东仁，李金昶（东北师范大学测试中心，长春，１３００２４）关键词：多氯代二苯并呋喃，电荷分布，量子化学计算本文采用量子化学方法，以多氯二...
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| 关 键 词： | 多氯代二苯并呋喃，电荷分布，量子化学计算 |
QUANTUM CHEMISTRY STUDY ON THE INFLUENCE OF PoLYCHL ORINATION ON THE STRUCTURE AND CHARGE DISTRI-BUTION OF DIBENZOFURAN |
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| Su Zhongmin,Sheng Lianxi,Zhao Baozhong.QUANTUM CHEMISTRY STUDY ON THE INFLUENCE OF PoLYCHL ORINATION ON THE STRUCTURE AND CHARGE DISTRI-BUTION OF DIBENZOFURAN[J].Chemical Research and Application,1995(2). |
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| Authors: | Su Zhongmin Sheng Lianxi Zhao Baozhong |
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| Abstract: | In this paper,the structures of polychlorinated dibenzofurans are firstly optmized in fullfree-degree by using the quantum chemistry MNDO method. The influence of chlorinationon the regularities of structures and charge distribution of dibenzofuran are studied. Somesignificant information are provided for dcaling with poisons in envirenmental chemistry. |
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| Keywords: | Polychlorinated Dibenzofuran Charge Distribution MNDO |
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