首页> 外文会议>Rare metals >Fullerenes C60-C80: Enumeration of exohedral substitution isomers and methods of thermodynamical properties esimation.part Ⅰ

【24h】

Fullerenes C60-C80: Enumeration of exohedral substitution isomers and methods of thermodynamical properties esimation.part Ⅰ

机译：富勒烯C60-C80：面外取代异构体的枚举及热力学性质的模拟方法。第一部分

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

@@1.Introduction Isomer substitutions over [ C60 ] -,[ C70 ] -,[ C72 ] -,[ C74 ] -,[ C76 ] -,[ Q78 ]-and [ C80 ]-fullerene vertices are discussed. The isomer derivation is given on the ba sis of Poya theorem [ 1 ].Symmetry formulas Z,produ cing functions for the determination of the number of chiral and achiral isomer substitutions,isomer distribu tions overp(m) families depending on the number m of substitution places are ascertained. The additive scheme based on the model [ 2 ] for the estimation of gaseous carbon clusters [ C60 ]-[ C100 ] properties is obtained and calculations of△fH°98k,S°98K,C°p298k,△Hcy6n,△fG°298k,lgAp298 gaseous clusters not explored experi mentally are performed.

机译：@@ 1。讨论了在[C60]-，[C70]-，[C72]-，[C74]-，[C76]-，[Q78]-和[C80]-富勒烯顶点上的异构体取代。异构体的推导基于Poya定理[1]。对称公式Z，用于确定手性和非手性异构体取代数目的生产函数，取决于p的数目m的异构体分布p（m）族确定替代位置。获得了基于模型[2]的气态碳簇[C60]-[C100]性质估计的加性方案，并计算了△fH°98k，S°98K，C°p298k，△Hcy6n，△fG°298k进行了未经实验勘探的lgAp298气态团簇。

著录项

来源
《Rare metals》|2009年|p.626-629|共4页
会议地点 Jiaxing(CN)
作者
Smolyakov V.M.; Sokolov D.V.; Nilov D.Yu; Grebeshkov V.V.; Fedin D.M.;
展开▼
作者单位

Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia;

Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia;

Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia;

Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia;

Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia;

展开▼
会议组织
原文格式 PDF
正文语种
中图分类稀有金属和少量金属;
关键词

相似文献

外文文献
中文文献
专利

1. Geometric and electronic structures of metal-substitutional fullerene C59Sm and metal-exohedral fullerenes C60Sm [J] . Lu GL, Deng KM, Wu HP, The Journal of Chemical Physics . 2006,第5期

机译：金属取代富勒烯C59Sm和金属外表面富勒烯C60Sm的几何和电子结构
2. Geometric and electronic structures of metal-substitutional fullerene C_(59)Sm and metal-exohedral fullerenes C_(60)Sm [J] . Gongli Lu, Kaiming Deng, Haiping Wu, The Journal of Chemical Physics . 2006,第5期

机译：金属取代富勒烯C_（59）Sm和金属外表面富勒烯C_（60）Sm的几何和电子结构
3. EXOHEDRAL FUNCTIONALIZATION OF [60]FULLERENE BY [4+2] CYCLOADDITIONS - DIELS-ALDER REACTIONS OF [60]FULLERENE WITH ELECTRON RICH 2,3-DIOXY-SUBSTITUTED-1,3-BUTADIENES [J] . Torresgarcia G., Mattay J. Tetrahedron . 1996,第15期

机译：[60]富勒烯在[4 + 2]循环条件下的OHOH官能化-[60]富勒烯与富电子的2,3-二氧取代-1,3-丁二烯的狄尔斯-阿尔德反应
4. Fullerenes C60-C80:Enumeration of exohedral substitution isomers and methods of thermodynamical properties estimation,part Ⅱ [C] . Smolyakov V.M., Sokolov D.V., Nilov D.Yu., Rare metals . 2009

机译：富勒烯C60-C80：外面取代异构体的列举及热力学性质的估算方法，第二部分
5. Quantum Control of the Electronic and Thermal Properties of Fullerenes and Exohedral Fullerenes [D] . Almutlaq, Nasser Majed S. 2018

机译：富勒烯和exohedral富勒烯电子和热性质的量子控制
6. Amino Acid Substitutions in a Long Flexible Sequence Influence Thermodynamics and Internal Dynamic Properties of Winged Helix Protein Genesis and Its DNA Complex [O] . Hong Yan, Xiubei Liao 2003

机译：长柔性序列中的氨基酸取代影响翼状螺旋蛋白起源及其DNA复合物的热力学和内部动力学性质
7. Description of the Behavior of Dichloroalkanes-Containing Solutions with Three bXmpyBF4 Isomers, Using the Experimental Information of Thermodynamic Properties, 1H NMR Spectral and the COSMO-RS-Methodology [O] . Luis Fernández, Juan Ortega, José Palomar, 2015

机译：使用热力学性质的实验信息，1H NMR光谱和COSMO-RS方法的实验信息描述含二氯烷烃的溶液的行为。

Fullerenes C60-C80: Enumeration of exohedral substitution isomers and methods of thermodynamical properties esimation.part Ⅰ

摘要

著录项

相似文献

相关主题

期刊订阅