Stereochemistry of nucleic acids and polynucleotides III. Electronic charge distribution

Renugopalakrishnan, V. ; Lakshminarayanan, A. V. ; Sasisekharan, V. (1971) Stereochemistry of nucleic acids and polynucleotides III. Electronic charge distribution Biopolymers, 10 (7). pp. 1159-1167. ISSN 0006-3525

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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/bip.360...

Related URL: http://dx.doi.org/10.1002/bip.360100707

Abstract

Calculation of σ- and π-charges were made on nucleotides and nucleic acids. The σ-charges were calculated using LCAO MO method suggested by Del Re, making use of Berthod and Pullman parameters. The π-charges were calculated by Hückel's method, making use of suitable parameters which gave a good qualitative correlation of calculated bond orders with experimentally determined bond lengths. General features of the charge distribution are discussed.

Item Type:Article
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