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Temperature-dependent thermodynamic contributions to the relative tautomeric stabilities of nucleic acid bases

✍ Scribed by Józef S. Kwiatkowski; Jerzy Leszczyński

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
423 KB
Volume
204
Category
Article
ISSN
0009-2614

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✦ Synopsis

Temperature-dependent components of the enthalpy and entropy contributions to the AG Gibbs free tautomerixation energies of DNA bases and their derivatives are computed within the rigid rotor-harmonic oscillator-ideal gas approximation using the data (rotational constants, harmonic frequencies) from the SCF/3-2 1G calculations. For the tautomers existing in comparable concentrations, these contributions were found to be important parts of the AG energies, and they should be calculated for the proper comparison of the calculated and experimental tautomeric stabilities of the bases.

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