Related papers: Unlocking n-alk-1-ynes Conformers: Quantum "Trigge…
Resonant inelastic x-ray scattering at the N K edge reveals clearly resolved harmonics of the anion plane vibrations in the kappa-(BEDT-TTF)2Cu2(CN)3 spin-liquid insulator. Tuning the incoming light energy at the K edge of two distinct N…
It is often intriguing experimentally to take stock of how conformational changes in the device configuration may impact the overall charge transport behavior of single-molecule junctions. Based on the allied approach of density functional…
We have performed a dielectric investigation of the ionic charge transport and the relaxation dynamics in plastic-crystalline 1-cyano-adamantane (CNA) and in two mixtures of CNA with the related plastic crystals adamantane or 2-adamantanon.…
Coupled colloidal quantum dot (CQD) dimers represent a new class of artificial molecules composed of fused core/shell semiconductor nanocrystals. The electronic coupling and wavefunction hybridization is enabled by the formation of an…
The $\alpha$ and $\beta$ subunits comprising the hexameric assembly of F1-ATPase share a high degree of structural identity, though low primary identity. Each subunit binds nucleotide in similar pockets, yet only $\beta$ subunits are…
Devices made of few molecules constitute the miniaturization limit that both inorganic and organic-based electronics aspire to reach. However, integration of millions of molecular junctions with less than 100 molecules each has been a long…
We analyze the quantum-mechanical rotational excitation/de-excitation spectrum and cross sections of CN molecules during low and high-energy collisions with protons, H+. The problem is of significant importance in astrophysics of the early…
In a bridge configuration, a single graphene nanoribbon (GNR) is positioned with a picometer precision over a trench in between two monoatomic steps on an Au(111) surface. This GNR molecular wire adopts a deformed conformation towards the…
The Coherent Neutrino-Nucleus Interaction Experiment (CONNIE) is taking data at the Angra 2 nuclear reactor with the aim of detecting the coherent elastic scattering of reactor antineutrinos with silicon nuclei using charge-coupled devices…
We have conducted the first simultaneous global fit of the strong coupling constant $\alpha_s$ and the Collins-Soper (CS) kernel using the energy-energy correlators (EEC) of $e^{+} e^{-}$ collisions in the back-to-back limit. This analysis,…
This work presents a comprehensive theoretical investigation of key isomers of C2H4N2 using state-of-the-art quantum chemical methods. The objective is to characterize their molecular structures, spectroscopic constants, and electronic…
We examine the conformations of a model for under- and overwound DNA. The molecule is represented as a cylindrically symmetric elastic string subjected to a stretching force and to constraints corresponding to a specification of the link…
Molecule-electrode contact atomic structures are a critical factor that characterizes molecular devices, but their precise understanding and control still remain elusive. Based on combined first-principles calculations and single-molecule…
Coupled colloidal quantum dot molecules composed of two fused CdSe/CdS core/shell sphere monomers were recently presented. Upon fusion, the potential energy landscape is changing into two quantum dots separated by a pre-tuned potential…
Unravelling the origins of single-atom catalyst reactivity is a central challenge in heterogeneous catalysis research. A key question is whether the activity arises solely from atomic isolation or from distinct structural and electronic…
We propose and analyze an all-mechanical route to coherent control and quantum-state reconstruction of the fundamental flexural mode of a suspended carbon nanotube (CNT) operated in the anharmonic (Duffing/Kerr). A nearby atomic force…
Atomic synapses represent a special class of memristors whose operation relies on the formation of metallic nanofilaments bridging two electrodes across an insulator. Due to the magnifying effect of this narrowest cross-section on the…
Progress along the line of a previous article are reported. One main point is to include chiral operators with fractional quantum group spins (fourth or sixth of integers) which are needed to achieve modular invariance. We extend the study…
Organometallic nanostructures are promising candidates for applications in optoelectronics, magnetism and catalysis. Our bottom-up approach employs a cyano-functionalized terminal alkyne species (CN-DETP) on the Ag(110) surface to fabricate…
Atomically precise graphene nanoribbons (GNRs) are increasingly attracting interest due to their largely modifiable electronic properties, which can be tailored by controlling their width and edge structure during chemical synthesis. In…