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Molecular Networks in Dynamic Multilevel Systems
(Wiley VCH Verlag, 2018-09)
Dynamic multilevel systems can be assembled from molecular building blocks through two or more reversible reactions that form covalent bonds. Molecular networks of dynamic multilevel systems can exhibit different connectivities ...
Doping the Superatom with p‑Elements: The Role of p‑Block Endohedral Atoms in Bonding and Optical Properties of E@Au24(SR)18 (E = Si, Ge, Sn, and Pb) from Relativistic DFT Calculations
(American Chemical Society, 2016)
Expanding the versatility of well-defined clusters seeking distinctive physical and chemical behavior in a rational manner is a relevant issue in the design of functional nanostructures. Superatomic clusters through the ...
Exploring the photo-stability of the {Ru(py)4}2+ fragment
(Elsevier Science Sa, 2015-04)
Mononuclear Ru(II) tetrakis-pyridine species of general formula trans-[(Cl)Ru(py)4(X)]n+ (X = Cl-, MeCN and CO) are thermally inert toward ligand exchange reactions at room temperature, but undergo substitution under ...
Functionalized adamantane: Building blocks for nanostructure self-assembly
(AMER PHYSICAL SOC, 2009)
We report first-principles calculations on the electronic and structural properties of chemically functionalized adamantane molecules, either in isolated or crystalline forms. Boron and nitrogen functionalized molecules, ...
Reactivity of eumelanin building blocks: A DFT study of monomers and dimers
(2020-07-01)
Melanins are natural pigments with important biological properties and have been considered promising materials for several bio-electronic applications. In spite of it, until now there is no satisfactory understanding of ...
Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to Xe
(SpringerNew YorkEUA, 2006)
Plasmid Vectors and Molecular Building Blocks for the Development of Genetic Manipulation Tools for Trypanosoma cruzi
(Public Library of Science, 2013-10-24)
The post genomic era revealed the need for developing better performing, easier to use and more sophisticated genetic manipulation tools for the study of Trypanosoma cruzi, the etiological agent of Chagas disease. In this ...