Modeling of the Hydration Shell of Uracil and Thymine

Modeling of the Hydration Shell of Uracil and Thymine

The molecular geometry of complexes of uracil and thymine with 11 water molecules was calculated using the density functional theory with the B3LYP functional. The standard 6-31G(d) basis set has been employed. It was found that the arrangement of water molecules forming a locked chain around the nu...

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Bibliographic Details
Main Authors: Jerzy Leszczynski, Leonid Gorb, Oleg V. Shishkin
Format: Article
Language:English
Published: MDPI AG 2000-03-01
Series:International Journal of Molecular Sciences
Subjects:
Uracil
Thymine
Hydration
Molecular structure
Hydrogen bonds
Density functional theory
Online Access:http://www.mdpi.com/1422-0067/1/2/17/

Internet

http://www.mdpi.com/1422-0067/1/2/17/

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