The use of DNA as a molecular wire in nanoscale electronic architectures would greatly
benefit from its capability of sequence-specific self-assembly. Although single electrons and …

Recently, metal-mediated base-pairs (metallo-base-pairs) have been studied extensively
with the aim of exploring novel base-pairs; their structures, physicochemical properties, and …

A local approximation for dynamic polarizability leads to a nonlocal functional for the long-
range dispersion interaction energy via an imaginary-frequency integral. We analyze …

Base-pairing in the naturally occurring DNA and RNA oligonucleotide duplexes is based on
π-stacking, hydrogen bonding, and shape complementarity between the nucleobases …

We present a reaction scheme of silver containing 5-substituted uracils (N) bridge formation
with two silver ions to a silver-mediated base pair [N-Ag2-N] by using the conductor-like …

The metal‐mediated hydroxypyridone base pairs containing Ni2+, Cu2+, Zn2+, Pd2+, Cd2+,
Pt2+, and Hg2+ ions were designed theoretically using by density functional theory (DFT) …

Geometrical and electronic structures of uracil nucleobase pair containing AgI ions have
been studied theoretically and computationally. Four stable conformers are expected to co …

The effect of interactions of various Ia and IIa cations with two positions of the adenine-
thymine (A− T) and guanine-cytosine (G− C) base pairs on the geometries and individual …

The magnetic properties of a copper‐containing artificial DNA (a 2, 6‐dipicolinate− Cu (II)−
pyridine complex‐based artificial DNA) were theoretically investigated at the ab initio …

We have studied three topics about (i) the structural stabilities and electronic structures of
metal-ion containing artificial DNA bases and (ii) conductivity of them. Before proceeding to …