Browsing by Subject "ab initio"
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A computational investigation of some polycalicenes as novel nonbenzenoid aromatic molecules and the strange case of the cyclopropenyl anion (Mississippi State UniversityDepartment of Chemistry.College of Arts and Sciences, 2009-04-02)Polycalicenes are novel nonbenzenoid aromatic hydrocarbons made from calicene subunits. A host of related polycalicenes are possible by varying the number of calicenes and the bonding motif of the calicenes (e.g. head-to-tail ...