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Stereochemistry of nucleic acids and polynucleotides III. Electronic charge distribution

โœ Scribed by V. Renugopalakrishnan; A. V. Lakshminarayanan; V. Sasisekharan


Publisher
Wiley (John Wiley & Sons)
Year
1971
Tongue
English
Weight
328 KB
Volume
10
Category
Article
ISSN
0006-3525

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๐Ÿ“œ SIMILAR VOLUMES


Stereochemistry of nucleic acids and pol
โœ V. Sasisekharan; A. V. Lakshminarayanan ๐Ÿ“‚ Article ๐Ÿ“… 1969 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 455 KB

As part of a study on the conformation of polynucleotides and nucleic acids the preferred conformations of the model conpound dimethyl phosphate are worked out using potential energy functions. In calculating the total potential energy associated with the conformation, nonbonded, torsional, and elec

Stereochemistry of nucleic acids and pol
โœ A. V. Lakshminarayanan; V. Sasisekharan ๐Ÿ“‚ Article ๐Ÿ“… 1969 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 653 KB

In this paper, the preferred conformations of the bases with respect to the sugar in various base-sugar units are worked out using criteria of potential energy. The van der Waals type of intercations between nonbonded atoms is represented by a 6-12 function and the electrostatic interactions have be

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โœ A. V. Lakshminarayanan; V. Sasisekharan ๐Ÿ“‚ Article ๐Ÿ“… 1969 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 663 KB

The potential energy calculations on the sugar-phosphate unit for different puckerings of the sugar are reported in this paper. The results obtained here essentially confirm our earlier predictions made by using criteria of contact distances (hard-sphere potential) and are also supported by observed

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The localized molecular orbitals for the hydration complexes of Hf and Li+ cations, F-anion, and linear dimer of water molecules are obtained from their CND0/2 wavefunctions. The bonding of these systems is qualitatively discussed in the light of the localized orbitals.