Article ID Journal Published Year Pages File Type
5394372 Computational and Theoretical Chemistry 2013 5 Pages PDF
Abstract
► Relative energy of isomers of C6H7+ has been determined by CCSD(T)//B3LYP/aug-cc-pVTZ. ► Anharmonic vibrational wavenumbers of isomers of C6H7+. ► Charge analysis of isomers of C6H7+.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Structure, stability, and vibrational fundamentals of low-lying isomers of C6H7+
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