DOI: 10.1021/ja034245y. Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution. Guanine: Surprising Stabilization of Rare Tautomers in Aqueous Solution

10.1021/ja034245y

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Hanus, M., RyjÃ¡Äek, F., KabelÃ¡Ä, M., KubaÅ, T., Bogdan, T. V., Trygubenko, S. A., & Hobza, P. (2003). Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution. Guanine:â Surprising Stabilization of Rare Tautomers in Aqueous Solution. Journal of the American Chemical Society, 125(25), 7678â7688.

Authors 7

Michal Hanus (first)
Filip Ryjáček (additional)
Martin Kabeláč (additional)
Tomáš Kubař (additional)
Tetyana V. Bogdan (additional)
Semen A. Trygubenko (additional)
Pavel Hobza (additional)

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The RI-MP2 dipole moments presented in Table 1 differ only slightly (in tenths of D) from the HF/6-31G* ones used in RESP procedure, and, consequently, also from the dipole moments yielded by the empirical potential. This means that the electrostatic term of the empirical force field (dominant among nonbonded terms) is described adequately.
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Dates

Type	When
Created	22 years, 2 months ago (June 18, 2003, 1:08 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 5:43 p.m.)
Indexed	2 months ago (July 2, 2025, 2:11 p.m.)
Issued	22 years, 3 months ago (June 1, 2003)
Published	22 years, 3 months ago (June 1, 2003)
Published Online	22 years, 3 months ago (June 3, 2003)
Published Print	22 years, 3 months ago (June 1, 2003)

Funders 0

None

BibTeX

@article{Hanus_2003, title={Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution. Guanine: Surprising Stabilization of Rare Tautomers in Aqueous Solution}, volume={125}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja034245y}, DOI={10.1021/ja034245y}, number={25}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Hanus, Michal and Ryjáček, Filip and Kabeláč, Martin and Kubař, Tomáš and Bogdan, Tetyana V. and Trygubenko, Semen A. and Hobza, Pavel}, year={2003}, month=jun, pages={7678–7688} }

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