Mgr. Arnošt Mládek, Ph.D.

Bachelor's thesis

Geometrie a Elektronova Struktura Patere As-DNA

Geometry and Electronic Structure of the As-DNA Backbone
Abstract:
Metodami pokročilé kvantové chemie byla studována geometrie a elektronová struktura páteře DNA s inkorporovaným atomem arsenu.
Abstract:
High level quantum chemical calculations have been applied to investigate the geometry and electronic properties of the arsenate analogue of the DNA backbone. The optimized geometries as well as hyperconjugation effects along the C3-O3-X-O5-C5 linkage (X = P, As) exhibit a remarkable similarity for both arsenates and phosphates. This suggests that arsenates, if present, might serve as a potential substitute …more
 
 
Language used: English
Date on which the thesis was submitted / produced: 11. 5. 2011

Thesis defence

  • Date of defence: 17. 6. 2011
  • Supervisor: prof. RNDr. Jiří Šponer, DrSc.
  • Reader: RNDr. Petr Kulhánek, Ph.D.

Citation record

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Institution archiving the thesis and making it accessible: Masarykova univerzita, Přírodovědecká fakulta

Masaryk University

Faculty of Science

Bachelor programme / field:
Biochemistry / Chemoinformatics and Bioinformatics

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