0181112 - UFCH-W 20010018 RIV US eng J - Článek v odborném periodiku
Shishkin, O. V. - Gorb, L. - Hobza, Pavel - Leszczynski, J.
Structural Nonrigitidy of Nucleid Acid Bases. Post-Hartree-Fock ab initio Study.
International Journal of Quantum Chemistry. Roč. 80, 4/5 (2000), s. 1116-1124. ISSN 0020-7608. E-ISSN 1097-461X
Grant ostatní: NSF(US) 94-4-756-01; NIH(US) G12RR13459
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: uracyl * thymine * isocytosine guanine and adenine
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.317, rok: 2000

Pyrimidine ring deformation modes in uracyl, thymine, cytosine, isocytosine guanine and adenine were analyzed using normal vibrations calculated at the MP2/6-31G(d,p) levels of theory. We have introduced the theoretical approach based on the combined analysis of the shape of the relaxed potential surface, normal out-of-plane frequencies, and the amplitudes of the coresponding vibrations.
Trvalý link: http://hdl.handle.net/11104/0077711