相关论文: Complexes of DNA Bases and Small Gold Clusters
We show that D- and L-enantiomorphous crystals of NaBrO3 in equilibrium with the corresponding solution, self-aggregate leading to large crystal assemblies. Surprisingly, crystal-to-crystal interaction is not a random process and takes…
Anions are formed by electron attachment to helium nanodroplets doped with N$_2$. The most prominent ion series is due to odd-numbered N$_m$$^{-}$ with 3 $\le$ m < 140. Neither N$^{-}$ nor N$_2$$^{-}$ are observed. An appearance energy of…
The translocation of structured RNA or DNA molecules through narrow pores necessitates the opening of all base pairs. Here, we study the interplay between the dynamics of translocation and base-pairing theoretically, using kinetic Monte…
Base-pockets (non-complementary base-pairs) in a double-stranded DNA play a crucial role in biological processes. Because of thermal fluctuations, it can lower the stability of DNA, whereas, in case of DNA aptamer, small molecules e.g.…
Nucleation and growth of solids from solutions impacts many natural processes and are fundamental to applications in materials engineering and medicine. For a crystalline solid, the nucleus is a nanoscale cluster of ordered atoms, which…
We report the studies of ultrafast electron nanocrystallography on size-selected Au nanoparticles (2-20 nm) supported on a molecular interface. Reversible surface melting, melting, and recrystallization were investigated with dynamical…
An unusual Fe-H bonding rather than conventional OH bonding is identified at Fe3O4 (001) surface. This abnormal behavior is associated with the oxygen vacancies which exist on the surface region but also penetrate deep into the bulk Fe3O4.…
Conductance histograms are a valuable tool to study the intrinsic conduction properties of metallic atomic-sized contacts. These histograms show a peak structure, which is characteristic of the type of metal under investigation. Despite the…
Using spin polarized density functional theory (DFT) based calculations, combined with ab-initio molecular dynamics simulation, we carry out a systematic investigation of the bimetallic Ni$_{13-n}$Ag$_n$ nano clusters, for all compositions.…
In modeling DNA chains, the number of alternations between Adenine-Thymine (AT) and Guanine-Cytosine (GC) base pairs can be considered as a measure of the heterogeneity of the chain, which in turn could affect its dynamics. A probability…
Binding energies of three-body systems of the type \phi+2N are estimated. Due to the strong attraction between \phi-meson and nucleon, suggested in different approaches, bound states can appear in systems like \phi+np (singlet and triplet)…
We describe briefly a possible coagulation mechanism for unipolar nanodust clouds of 3 nm single charged metal nanoparticles. A theoretical dependence of the critical cloud concentration vs the Hamaker constant is derived and compared with…
We investigate, by means of first-principles calculations, structural and transport properties of junctions made of symmetric dithiolated molecules placed between Au electrodes. As the electrodes are pulled apart, we find that it becomes…
In this report we present systematic magnetic studies of pure iron oxide nanoparticles and gold iron oxide nanocomposite with increasing Au particle size/content. For the magnetic studies of these samples we have measured: (1) zero field…
Chemically-reduced graphene-oxide-supported gold nanoparticles are considered here as catalytic materials for the reduction of oxygen in alkaline medium. Gold nanoparticles are prepared by the chemical reduction method, in which the…
We report on the formation of oriented gold nano structures on Si(100) substrate by annealing procedures in low vacuum (\approx10-2 mbar) and at high temperature (\approx 975^{\circ} C). Various thicknesses of gold films have been deposited…
An efficient source of hydrated electrons generated by visible light has the potential to have a major impact on solar homogeneous catalysis. Diamond has potentially a high capability of emitting hydrated electrons, but only using…
Electrical forces are the background of all the interactions occurring in biochemical systems. From here and by using a combination of ab-initio and ad-hoc models, we introduce the first description of electric field profiles with intrabond…
Second electron affinities of Au_N and Ag_N clusters and the dissociation energies for fission of the Au_N^{2-} and Ag_N^{2-} dianions are calculated using the finite-temperature shell-correction method and allowing for triaxial…
The study of correlations among particles produced in different rapidity regions may provide understanding of the mechanisms of particle production. Correlations that extend over a longer range are observed in hadron-hadron interactions…