• 中文
    • English
  • English 
    • 中文
    • English
  • Login
View Item 
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

THE CORRELATION BETWEEN THEORETICAL AND EXPERIMENTALLY ESTIMATED RESONANCE ENERGIES

Thumbnail
Full Text
THE CORRELATION BETWEEN THEORETICAL AND EXPERIMENTALLY ESTIMATED RESONANCE ENERGIES.htm (412bytes)
Date
1995
Author
MO, YR
莫亦容
ZHANG, QE
张乾二
Collections
  • 化学化工-已发表论文 [14469]
Show full item record
Abstract
In this paper we have discussed the relationship between theoretical and experimentally estimated resonance energies, and in particular we have reviewed the discrepancies in the above two kinds of resonance energies for butadiene and benzene. Unfortunately, at present there are some difficulties in determining the resonance stabilization by using the prevailing calculation programs at the ab initio level. In contrast, experimentally estimated resonance energies can be well-defined and are discussed routinely. However, as we have pointed out in this paper, the pi-electronic delocalization ability is somewhat underestimated by the experimentally deduced data.
Citation
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE,1995,357(1-2):171-176
URI
http://dx.doi.org/10.1016/0166-1280(95)04274-A
https://dspace.xmu.edu.cn/handle/2288/13691

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies
 

 

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies