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Computational design and structure–property relationship studies on heptazines

✍ Scribed by Vikas D. Ghule; Radhakrishnan Sarangapani; Pandurang M. Jadhav; Raj Kishore Pandey

Book ID
106240493
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
291 KB
Volume
17
Category
Article
ISSN
1610-2940

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## Abstract The correlation between molecular path numbers and chemical shift sums found previously in smaller alkanes is extended to larger alkanes. Using data on alkanes with 2–31 carbon atoms a satisfactory regression equation (__R__ = 0.999 and __S__ = 7.5 is derived based on a single molecular