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Publisher
Birkhäuser Boston
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Authors: Prabhat K Sahu ShyiLong Lee
Publish Date: 2011
Volume: , Issue: , Pages: 127-151
Abstract
This report briefly describes the development and applications of netsign graph theory The current work enunciates the graph molecule signature of nonalternant nonbenzenoid hydrocarbons with odd member of rings nonbipartite molecular graphs based on chemical signed graph theory Experimental evidences and Hückel spectrum reveal that structure possessing nonbonding molecular orbital NBMOs is very unstable and highly reactive under the drastic conditions of low temperature Chemical signed graph theoretical approach is applied successfully to classify the nonbipartite molecular graphs with a view to Randic’s conjugated circuit models based on their spectral characteristic The obtained results based on netsign approach are compared with those obtained using Hückel calculations
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