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The molecular electrostatic potential of DNA: The effect of countercation screening on various allomorphic forms

✍ Scribed by Sylvie Corbin; Richard Lavery; Bernard Pullman

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
377 KB
Volume
22
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Molecular electrostatic potential on the
Molecular electrostatic potential on the surface envelopes of macromolecules: B-DNA
✍ Richard Lavery; Bernard Pullman πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 916 KB

## Abstract A procedure for calculating the molecular electrostatic potentials on surface envelopes surrounding macromolecules is presented. This new representation of potential is employed in studying B‐DNA double helices and, from the results, deductions are drawn on the interaction specificities

Electron correlation effects on the topo
Electron correlation effects on the topography of molecular electrostatic potentials
✍ Sudhir A. Kulkarni πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 421 KB

The effect of the inclusion of electron correlation at the MP2 level on the MESP topography is investigated. The change is analyzed in terms of the MESP value as well as eigenvalues at the critical point (CP). The pi-bond and lone-pair minima become more shallow and flat, and all the CPs indicating