Related papers: Structures of Molecules at the Atomic Level: Caffe…
It is important to understand the origin of molecular line intensities and chemical composition in the molecular-cloud scale in the Galactic sources because it serves as a benchmark to compare with the chemical compositions of extragalactic…
When atoms come together and bond, we call these new states molecules, and their properties determine many aspects of our daily life. Strangely enough, it is conceivable for light and molecules to bond, creating new hybrid light-matter…
In the field of molecular electronics, particularly in quantum transport studies, the orientation of molecules plays a crucial role. This orientation, with respect to the electrodes, can be defined through the cavity of ring-shaped…
We study the effects of short- and long-range correlations on the charge radii of Ca isotopes. We start our investigation with an independent particle model consisting in Hartree-Fock plus Bardeen-Cooper-Schrieffer calculations with…
This paper considers three kinds of length sequences of the complete genome. Detrended fluctuation analysis, spectral analysis, and the mean distance spanned within time $L$ are used to discuss the correlation property of these sequences.…
In typical microscopic approaches, particularly when pairing correlations are present, nuclei and nuclear fragments do not have well defined quantum numbers and symmetries should be restored. I present here a formalism for the simultaneous…
We present a framework to investigate the collective properties of atomic lattices in one, two, and three dimensions. We analyze the single-photon band structure and associated atomic decay rates, revealing a fundamental dependence on…
Many molecular species can presumably still be observed in space if they are adequately characterized chemically. In this paper, we suggest that this could be the case of the neutral (C$_4$N$^0$) and anion (C$_4$N$^-$) cyanopropynylidene…
We consider finite linear or cyclic crystalline structures with molecular cells having narrow pre-threshold nuclear resonance. We prove that if the real part of such a nuclear resonance lies within the energy band (the convex hull of the…
We report a collection of lowest-energy structures of hydrocarbon molecules C_{m}H_{n} (m=1-18; n=0-2m+2). The structures are examined within a wide hydrogen chemical potential range. The genetic algorithm combined with Brenner's empirical…
The microstructure, electronic structure, and chemical bonding of chromium carbide thin films with different carbon contents have been investigated with high-resolution transmission electron microscopy, electron energy loss spectroscopy and…
We construct a class of periodic tilings of the plane, which corresponds to toroidal arrangements of trivalent atoms, with pentagonal, hexagonal and heptagonal rings. Each tiling is characterized by a set of four integers and determines a…
Motivated by a revision of the classical equations of electromagnetism that allow for the inclusion of solitary waves in the solution space, the material collected in these notes examines the consequences of adopting the modified model in…
Charge radii are one of the most fundamental properties of atomic nuclei characterizing their charge distributions. Though the general trend as a function of the mass number is well described by the $A^{1/3}$ rule, some fine structures,…
Recent theoretical studies of amorphous silicon [Y. Pan et al. Phys. Rev. Lett. 100 206403 (2008)] have revealed subtle but significant structural correlations in network topology: the tendency for short (long) bonds to be spatially…
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…
Molecular Mechanics describes molecules as particle configurations interacting via classical potentials. These {\it configurational energies} usually consist of the sum of different phenomenological terms which are tailored to the…
A linear correlation is found between the magnitude of nucleon-nucleon short-range correlations and the nuclear binding energy per nucleon with pairing energy removed. By using this relation, the strengths of nucleon-nucleon short-range…
Caffeine (CAF) is one of the most widely and regularly consumed biologically active substances. We use computer simulation approach to the study of CAF activity by searching for its possible complexes with biopolymer fragments. The…
A bismuth bond, a type of pnictogen bonding interaction, occurs in chemical systems when there is evidence of a net attractive interaction between the electrophilic region of a covalently or coordinately bonded bismuth atom and the…