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Interactions of Hydrated Mg 2+ Cation with Bases, Base Pairs and Nucleotides. Electron Topology, Natural Bond Orbital, Electrostatic, and Vibrational Study
- 1.0181184 - UFCH-W 20010098 RIV US eng J - Journal Article
Muňos, J. - Šponer, Jiří - Hobza, Pavel - Orozco, M. - Luque, F. J.
Interactions of Hydrated Mg 2+ Cation with Bases, Base Pairs and Nucleotides. Electron Topology, Natural Bond Orbital, Electrostatic, and Vibrational Study.
Journal of Physical Chemistry. B. Roč. 105, č. 25 (2001), s. 6051-6060. ISSN 1089-5647
R&D Projects: GA AV ČR IAA4040903; GA ČR GA203/00/0633
Institutional research plan: CEZ:AV0Z4040901
Keywords : DNA bases * ab initio * metal cations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.379, year: 2001
A theoretical investigation of the influence of divalent metal cation binding on the nucleic base pairing is presented. The investigation includes a variety of theoretical analyses, which include electron topology properties, electrostatic properties, natural bond orbital analysis, and harmonic vibrational analysis.
Permanent Link: http://hdl.handle.net/11104/0077773
Number of the records: 1