On the interaction between gold and silver metal atoms and DNA/RNA nucleobases – a comprehensive computational study of ground state properties

Chiral Electronic Transitions in Fluorescent Silver Clusters Stabilized by DNA

(2014) Steven M. Swasey et al.   ACS Nano

C–H/O interactions of nucleic bases with a water molecule: a crystallographic and quantum chemical study

(2014) D. Ž. Veljković et al.   CRYSTENGCOMM

Silver- and gold-mediated nucleobase bonding

(2014) Paulo H. Acioli et al.   JOURNAL OF MOLECULAR MODELING

A QM/MM refinement of an experimental DNA structure with metal-mediated base pairs

(2013) Sadhana Kumbhar et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Excitation Spectra Argue for Threadlike Shape of DNA-Stabilized Silver Fluorescent Clusters

(2013) Ruslan R. Ramazanov et al.   Journal of Physical Chemistry C

Structural, Electronic, and Optical Properties of Metallo Base Pairs in Duplex DNA: A Theoretical Insight

(2012) Pralok K. Samanta et al.   Chemistry-An Asian Journal

Nature of the Interaction between Natural and Size-Expanded Guanine with Gold Clusters: A Density Functional Theory Study

(2012) Wenming Sun et al.   Journal of Physical Chemistry C

A Fluorescence Light-Up Ag Nanocluster Probe That Discriminates Single-Nucleotide Variants by Emission Color

(2012) Hsin-Chih Yeh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sensitivity analysis and uncertainty calculation for dispersion corrected density functional theory

(2011) Felix Hanke   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks

(2011) Y. Paukku et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Building plasmonic nanostructures with DNA

(2011) Shawn J. Tan et al.   Nature Nanotechnology

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

(2011) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW B

Do Anionic Gold Clusters Modify Conventional Hydrogen Bonds? The Interaction of Anionic Aun(n= 2−4) with the Adenine−Uracil Base Pair

(2009) Ana Martínez   JOURNAL OF PHYSICAL CHEMISTRY A

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Specific interactions between silver(i) ions and cytosine–cytosine pairs in DNA duplexes

(2008) Akira Ono et al.   CHEMICAL COMMUNICATIONS

Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

(2008) Edward G. Hohenstein et al.   Journal of Chemical Theory and Computation

Theoretical Study of Cytosine−Al, Cytosine−Cu and Cytosine−Ag (Neutral, Anionic and Cationic)

(2008) Marco-Vinicio Vázquez et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of Neutral, Anionic, and Cationic Uracil−Ag and Uracil−Au Systems:  Nonconventional Hydrogen Bonds

(2008) Job Valdespino-Saenz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ionization Energies of the Nucleotides

(2008) David M. Close et al.   JOURNAL OF PHYSICAL CHEMISTRY A