Polarization of the nucleic acid bases in aqueous solution

Research output: Contribution to journalArticlepeer-review

69 Scopus citations

Abstract

We present calculations of the absolute free energy of solvation of five nucleic acid bases and five methylated nucleic acid bases using a recently developed local-field SCF procedure in which the electronic structure and geometry are both optimized in the presence of solvent. The calculated solvation free energies are increased 23%-24% by the aqueous-phase relaxation.

Original languageEnglish (US)
Pages (from-to)74-80
Number of pages7
JournalChemical Physics Letters
Volume198
Issue number1-2
DOIs
StatePublished - Oct 2 1992

Fingerprint Dive into the research topics of 'Polarization of the nucleic acid bases in aqueous solution'. Together they form a unique fingerprint.

Cite this