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Utilization of a PPP method to study the structure and colour of aromatics having symmetrically substituted phenylethynyl groups

โœ Scribed by Bin Li; Weirong Miao; Qingwei Meng; Lubai Cheng


Book ID
108401570
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
193 KB
Volume
62
Category
Article
ISSN
0143-7208

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We show here that, with the incorporation of intermolecular distance dependence of x-o interactions, the INDO 1 /S method promises to be a very useful tool for investigating the structure and energetics of singlet excimers of polycyclic aromatic hydrocarbons. Application of the method to naphthalene