1. Estimating the total π-electron energy.
- Author
-
GUTMAN, IVAN and DAS, KINKAR CH.
- Subjects
- *
ELECTRON energy states , *MOLECULAR graphs , *CHEMICAL bonds , *BIOCONJUGATES , *HYDROCARBONS , *ADDITION reactions , *PARAMETER estimation - Abstract
The paper gives a short survey of the most important lower and upper bounds for the total π-electron energy, i.e., the graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs. The strengthened versions of these estimates, valid for alternant conjugated hydrocarbons, are also reported [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
- View/download PDF