相关论文: The aromatic Universe
The topology of the universe is discussed in relation to the singularity problem. We explore the possibility that the initial state of the universe might have had a structure with 3-Klein bottle topology, which would lead to a model of a…
We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
Mixing two chemical elements at the surface of a substrate is known to produce rich phase diagrams of surface alloys. Here, we extend the concept of surface alloying to the case where the two constituent elements are not both atoms, but…
A theoretical analysis of the scattering of plane-wave atomic excitations in disordered solids has been made in terms of the spectral densities. Hybridization between transverse and longitudinal waves of approximately the same frequency is…
Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes…
High energy astrophysical neutrinos carry relevant information about the origin and propagation of cosmic rays. They can be created as a by-product of the interactions of cosmic rays in the sources and during propagation of these high…
We survey some old and new results about acyclic (affine) complex surfaces, also called homology planes. We ask several questions and leave open directions for future research.
Nitrogen-bearing polycyclic aromatic hydrocarbons (N-PAHs) are key precursors to complex organic molecules in both the interstellar medium and the nitrogen-rich planetary atmospheres. Despite the recent detections of nitrogen-functionalized…
Infrared spectra of carbon-rich objects which have evolved off the asymptotic giant branch reveal a range of dust properties, including fullerenes, polycyclic aromatic hydrocarbons (PAHs), aliphatic hydrocarbons, and several unidentified…
This letter investigates the applications and extensions of the resource theory of quantum superposition within the realm of quantum chemistry. Specifically, we explore aromaticity, a fundamental concept originally developed to elucidate…
We study the modifications on the ground and excited state properties of polycyclic aromatic hydrocarbons (PAHs), induced by the variation of concavity and $\pi$-connectivity. Inspired by experimentally feasible systems, we study three…
The set of periodic distributions, with usual addition and convolution, forms a ring, which is isomorphic, via taking a Fourier series expansion, to the ring ${\mathcal{S}}'({\mathbb{Z}}^d)$ of sequences of at most polynomial growth with…
The 11.3 $\mu$m emission feature is a prominent member of the family of unidentified infrared emission (UIE) bands and is frequently attributed to out-of-plane bending modes of polycyclic aromatic hydrocarbon (PAH) molecules. We have…
We establish a hierarchical ordering of periodic orbits in a strongly coupled multidimensional Hamiltonian system. Phase space structures can be reconstructed quantitatively from the knowledge of periodic orbits alone. We illustrate our…
Atmospheric neutrinos produced by cosmic-ray interactions around the globe provide a beam for the study of neutrino properties. They are also a background in searches for neutrinos of astrophysical origin. Both aspects are addressed in this…
The measurement of the flavor composition of the neutrino fluxes from astrophysical sources has been proposed as a method to study not only the nature of their emission mechanisms, but also the neutrino fundamental properties. It is however…
Hydrogen depleted environments are considered an essential requirement for the formation of fullerenes. The recent detection of C60 and C70 fullerenes in what was interpreted as the hydrogen-poor inner region of a post-final helium shell…
Aims. Due to the limitations of current computational technology, the fragmentation and isomerization products of vibrationally-excited polycyclic aromatic hydrocarbon (PAH) molecules and their derivatives are poorly studied. In this work,…
Helicenes are inherently chiral polyaromatic molecules composed of all-ortho fused benzene rings possessing a spring-like structure. Here, using a combination of density functional theory and tight-binding calculations, it is demonstrated…
Infrared (IR) absorption spectra of individual polycyclic aromatic hydrocarbons (PAHs) containing methyl (-CH3), methylene (>CH2), or diamond-like *CH groups and IR spectra of mixtures of methylated and hydrogenated PAHs prepared by gas…