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Since the lone pairs of the nitrogen atoms in azines have partial s-character, one might consider the interaction between them and π-orbitals of the adjacent CN bonds as hyperconjugation. We, nonetheless, prefer to follow the standard IUPAC convention (P. Muller, Pure Appl. Chem., 1994, 66, p. 1077) defining the interaction between π-orbitals and lone pairs as conjugation and reserving the term hyperconjugation for the interaction between π- and σ-orbitals
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Although Mulliken charges cannot be trusted quantitatively, they reflect properly the general trends in charge distributions in a series of similar molecules and are therefore suitable in the context of our qualitative discussion of charge transfer
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Although Mulliken charges cannot be trusted quantitatively, they reflect properly the general trends in charge distributions in a series of similar molecules and are therefore suitable in the context of our qualitative discussion of charge transfer
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16
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35348888656
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D. van der Spoel, E. Lindahl, B. Hess, A. R. van Buuren, E. Apol, P. J. Meulenhoff, D. P. Tieleman, A. L. T. M. Sijbers, K. A. Feenstra, R. van Drunen and H. J. C. Berendsen, Gromacs User Manual version 3.2, 2004, www.gromacs.org
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