Kekulé-based Valence Bond Model. I. The Ground-state Properties of Conjugated π-Systems |
| |
引用本文: | 黎书华
,马晶
,江元生.Kekulé-based Valence Bond Model. I. The Ground-state Properties of Conjugated π-Systems[J].中国化学,2002(11). |
| |
作者姓名: | 黎书华 马晶 江元生 |
| |
作者单位: | LI,Shu-Hua MA,Jing JIANG,Yuan-Sheng Institute of Theoretical and Computational Chemistry,Department of Chemistry,Nanjing University,Nanjing,Jiangsu 210093,China |
| |
基金项目: | theNationalNaturalScienceFoundationofChina (No.2 0 0 730 2 0 ) |
| |
摘 要: | IntroductionIthasbeenacknowledgedthatboththeH櫣ckelmolecularorbital (HMO)andvalencebond (VB)meth odsarevalidstartingpointsfordescribingthechemicalbehaviorsofalternantconjugatedsystemswithoutdegener ategroundstates (forexample ,cyclobutadieneisexclud ed) .1Rec…
|
关 键 词: | valence bond model Kekulé structures benzenoid hydrocarbons nonalternant conjugated molecules |
本文献已被 CNKI 等数据库收录! |