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Self-associates of nucleic acid components (stacking trimers and tetramers ofthe base pairs of nucleic acids) and short fragments of nucleic acids arenanoparticles (linear sizes of these particles are more than 10 A. Modernquantum-mechanical methods and softwares allow one to perform ab initiocalculations of the systems consisting of 150-200 atoms with enough large basissets (for example, 6-31G*). The aim of this work is to reveal the peculiaritiesof molecular and electronic structures, as well as the energy features ofnanoparticles of nucleic acid components.

Molecular structure and interactions of nucleic acid components in nanopaticles: ab initio calculations