We describe the design, synthesis, and properties of DNA-like molecules in which the base
pairs are expanded by benzo homologation. The resulting size-expanded genetic helices …

All living things use DNA and RNA to store, retrieve, and transmit their genetic information.
The complementary Watson–Crick nucleobase-pairs (A/T and G/C base-pairs), have been …

We systematically examine all the tight-binding parameters pertinent to charge transfer
along DNA. The π molecular structure of the four DNA bases (adenine, thymine, cytosine …

Charge transfer (CT) properties are compared between peptide nucleic acid structures with
an aminoethylglycine backbone (aeg-PNA) and those with a γ-methylated backbone (γ …

Conjugated copolymers containing electron donor and acceptor units in their main chain
have emerged as promising materials for organic electronic devices due to their tunable …

The influence of the insertion/addition of a benzene ring to the natural nucleic acid bases on
the local aromaticity of the so-called size-expanded (xN, with N being adenine, guanine …

We present the results of time-dependent density functional theory calculations of the optical
absorption spectra of synthetic nucleobases and of their hydrogen-bonded and stacked …

A widened DNA base‐pair architecture is studied in an effort to explore the possibility of
whether new genetic system designs might possess some of the functions of natural DNA. In …

Computational chemistry (B3LYP, MP2) is used to study the properties of size-expanded
DNA nucleobases generated by inserting a benzene spacer into the natural nucleobases …

The properties of natural, y-and yy-pyrimidines are compared using computational (B3LYP,
MP2) methods. Ring expansion upon incorporation of benzene or naphthalene into the …