On the interaction between gold and silver metal atoms and DNA/RNA nucleobases–a comprehensive computational study of ground state properties
LA Espinosa Leal, O Lopez-Acevedo - Nanotechnology Reviews, 2015 - degruyter.com
The interaction between metal atoms and nucleobases has been a topic of high interest due
to the wide scientific and technological implications. Combining density functional theory …
to the wide scientific and technological implications. Combining density functional theory …
Structure, interaction, and dynamics of Au/Pd bimetallic nanoalloys dispersed in aqueous ethylpyrrolidone, a monomeric moiety of polyvinylpyrrolidone
Bimetallic nanoparticles (NPs) have been shown to exhibit certain advantages over pure
NPs in catalysis due to a synergistic effect. It is common to disperse NPs in a polymer matrix …
NPs in catalysis due to a synergistic effect. It is common to disperse NPs in a polymer matrix …
Watson–Crick base pairing, electronic and photophysical properties of triazole modified adenine analogues: a computational study
We employ first-principles Density Functional Theory (DFT) and time-dependent DFT
(TDDFT) to elucidate structural, electronic and optical properties of a few recently reported …
(TDDFT) to elucidate structural, electronic and optical properties of a few recently reported …
Binding to gold nanoclusters alters the hydrogen bonding interactions and electronic properties of canonical and size-expanded DNA base pairs
S Rai, H Singh, UD Priyakumar - RSC Advances, 2015 - pubs.rsc.org
DNA molecules tagged to metal nanoparticles, especially gold nanoparticles (AuNPs), have
been shown to have potential applications in the design and fabrication of novel electronic …
been shown to have potential applications in the design and fabrication of novel electronic …
Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO
S Rai, M Ehara, UD Priyakumar - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
DNA is considered as a programmable building block for the assembly of nanomaterials that
play a significant role in modern day nanotechnology and catalysis. In this work, density …
play a significant role in modern day nanotechnology and catalysis. In this work, density …
Dopant induced modulation in the structure and electronic properties of Au 10 cluster
The dopant driven strong modulation of the physiochemical properties of metal clusters has
attracted a wide research interest due to its potential application in sensing, catalysis and …
attracted a wide research interest due to its potential application in sensing, catalysis and …