网站首页  英汉词典

请输入您要查询的英文单词:

 

单词 Huckel method
释义

Huckel method

中文百科

休克尔方法 Hückel method

(重定向自Huckel method)

休克尔方法英语:Hückel method),又称休克尔分子轨域法英语:Hückel molecular orbital method,缩写:HMO),是1930年埃里希·休克尔提出的一个计算分子轨域及能级的方式。

休克尔方法是一个非常简单的烃类π轨域的原子轨域线性组合成的分子轨域(LCAO MO)之能量的测定方法,如:乙烯、苯、丁二烯的分子轨域的能量的测定方法。该理论的基础是休克尔规则。休克尔方法有一个扩展的理论,是为罗德·霍夫曼提出的扩展休克尔方法,是用来计算π轨域在三维中能量状态,也被用来测试分子轨道对称守恒原理。它后来被扩展到含有碳以外的原子和有混成的共轭分子,例如:吡啶、吡咯和呋喃。

英语百科

Hückel method 休克尔方法

Frost circle mnemonic for 1,3-cyclopenta-5-idenyl anion
Butadiene molecular orbitals

The Hückel method or Hückel molecular orbital method (HMO), proposed by Erich Hückel in 1930, is a very simple linear combination of atomic orbitals molecular orbitals (LCAO MO) method for the determination of energies of molecular orbitals of pi electrons in conjugated hydrocarbon systems, such as ethene, benzene and butadiene. It is the theoretical basis for the Hückel's rule. It was later extended to conjugated molecules such as pyridine, pyrrole and furan that contain atoms other than carbon, known in this context as heteroatoms. The extended Hückel method developed by Roald Hoffmann is computational and three-dimensional and was used to test the Woodward–Hoffmann rules.

随便看

 

英汉网英语在线翻译词典收录了3779314条英语词汇在线翻译词条,基本涵盖了全部常用英语词汇的中英文双语翻译及用法,是英语学习的有利工具。

 

Copyright © 2004-2024 encnc.com All Rights Reserved
更新时间:2025/6/20 19:50:11