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Application of random forests method to predict the retention indices of some polycyclic aromatic hydrocarbons

โœ Scribed by Goudarzi, N.; Shahsavani, D.; Emadi-Gandaghi, F.; Chamjangali, M. Arab


Book ID
122813588
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
844 KB
Volume
1333
Category
Article
ISSN
1873-3778

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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