国家自然科学基金(05JJ40015)

作品数：6被引量：9H指数：2
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相关作者：邝代治唐文清冯泳兰陈志敏曾荣英更多>>
相关机构：衡阳师范学院更多>>
相关期刊：《Chinese Journal of Structural Chemistry》《衡阳师范学院学报》更多>>
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第一主族阳离子-苯复合物相互作用的理论研究(英文)
《衡阳师范学院学报》2008年第3期66-72,共7页曾荣英 邝代治 唐文清 李俊华 冯泳兰 陈志敏 
Natural Science Foundation of the Hunan Provile(05JJ40015)
运用从头算MP2和密度泛函B3LYP方法,在6-311++G**基组水平上对第一主族阳离子-苯复合体系的构型进行了自由优化,并定义阳离子位于苯环正上方。频率计算表明为合理构型,复合物的键长、原子电荷、分子轨道成份、前沿轨道能等表明,碱金属...
关键词：第一族离子-苯复合物 阳离子-Π相互作用 量子化学 B3LYP MP2 
脂肪胺气相碱性的从头计算和密度泛函研究(英文)
《衡阳师范学院学报》2007年第6期78-83,共6页曾荣英 邝代治 唐文清 冯泳兰 陈志敏 
Natural Science Foundation of the Hunan Province(05JJ40015)Supportecl by the construct program of the key discipline in Hunan province
用HF和B3LYP方法计算了十八种脂肪胺的气相碱性,所得结果与实验值在次序上一致,讨论了这些化合物的气相碱性与分子中的电荷分布及电离势、质子亲合能的关系。
关键词：从头计算 密度泛函 脂肪胺 气相碱性 电荷分布 电离势 质子亲合势 
Synthesis, Crystal Structure and Quantum Chemistry Study of Tri(o-bromobenzyl)tin Ferrocenecarboxylate被引量：1
《Chinese Journal of Structural Chemistry》2007年第6期674-678,共5页王剑秋 邝代治 曾荣英 张复兴 冯泳兰 陈志敏 
Supported by the Key Foundation of Education Committee of Hunan Province (06A009);the Natural Science Foundation of Hunan Province (05JJ40015, 06JJ50022)
A novel complex tri（o-bromobenzyl）tin ferrocenecarboxylate has been synthesized and its crystal structure was determined by X-ray diffraction. It belongs to orthorhombic, space group Pbca with a = 1.1340（3）, b = 1...
关键词：tri（o-bromobenzyl）tin ferrocenecarboxylate synthesis crystal structure 
Synthesis and Crystal Structure of a Novel Ladder-like Organooxotin Cluster from 2,4,6-Trimethylbenzolic Acid and N-Benzylhydroxylamine
《Chinese Journal of Structural Chemistry》2007年第1期41-44,共4页张春华 陈满生 李薇 杨颖群 邝代治 邓奕芳 
This work was supported by the Natural Science Foundation of Hunan Province (05JJ40015)
The title complex {[（C6H5CH2）4Sn2（OOCC9H11）（ONHCH2C6H5）]O}2 （CgH11COO = 2,4,6- trimethyibenzolicate） has been synthesized by the reaction of bis-benzyitin oxide with 2,4,6-trimethyibenzolic acid and N-benzyihy...
关键词：organooxotin cluster 2 4 6-trimethylbenzelic acid N-benzylhYydroxylamine crystal structure 
Synthesis and Crystal Structure of the Ladder-like Organotin Complex: μ-pentaoxygen bridged penta(bis-benzyltin) bis-salicylate被引量：7
《Chinese Journal of Structural Chemistry》2005年第12期1387-1392,共6页WANG Jian-Qiu CHEN Zhi-Min ZENG Rong-Ying KUANG Dai-Zhi FENG Yong-Lan ZHANG Fu-Xing 
This work was supported by the Natural Science Foundation (05JJ40015) and Basic Research(03JZY3036) of the Hunan Province ,Key Foundation of Education Committee of HuNan Province(03A009) and Sustentation Fund of HenYang Science& Technology bureau (2004-25, 2005KG01-09)
A novel organotin complex of μ-pentaoxygen bridged penta（bis-benzyltin） bissalicylate has been synthesized by the reaction of bis-benzyltin oxide and salicylic acid and its structure has been determined by X-ray di...
关键词：μ-pentaoxygen bridged penta（bis-benzyltin） bis-salicylate synthesis crystal structure 
Synthesis and Crystal Structure of a Hexameric Organooxotin Cluster from Benzilic Acid被引量：3
《Chinese Journal of Structural Chemistry》2005年第11期1249-1253,共5页CHEN Man-Sheng KUANG Dai-Zhi ZHANG Chun-Hua DENG Yi-Fang LI Wei YANG Ying-Qun 
This work was supported by the Natural Science Foundation of Hunan Province(05JJ40015) and Project supported by Science Foundation of Hengyang Normal University of China (2004D16)
The title complex [^n BuSn（O）O2C（OH）CPh2]6.2H2O has been synthesized by the reaction of n-BuSn（O）OH with benzilic acid in 1：1 molar radio and characterized by IR, ^1H NMR spectra and elemental analysis. The cry...
关键词：organooxotin cluster benzilic acid crystal structure synthesis organooxotin cluster benzilic acid crystal structure SYNTHESIS 
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