Related papers: Structure and bonding of second-row hydrides
As the fourth most abundant element in the universe, carbon plays an important role in the physical and chemical evolution of the interstellar medium. Due to its unique property to form three different types of chemical bonds through sp^1,…
These lectures are an introduction to the physics of strongly correlated fermions and bosons. They are specially targeted for the experimental realizations that have been provided by cold atomic gases in optical lattices.
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…
The Golden ratio which appears in the geometry of a variety of creations in Nature is found to arise right in the Bohr radius of the hydrogen atom due to the opposite charges of the electron and proton. The bond length of the hydrogen…
Benzene, a hexagonal molecule with formula C$_6$H$_6$, is one of the most important aromatic hydrocarbons. Its structure arises from the $sp^{2}$ hybridization from which three in-plane $\sigma$-bonds are formed. A fourth $\pi$-orbital…
Boron is the fifth element in the periodic table and possesses rich chemistry second only to carbon. A striking feature of boron is that B12 icosahedral cages occur as the building blocks in bulk boron and many boron compounds. This is in…
Linear nanotubular boron-carbon heterojunctions are systematically constructed and studied with the help of ab initio total energy calculations. The structural compatibility of the two classes of materials is shown, and a simple recipe that…
Atomic undercoordination fascinates defects, surfaces, and nanostructures in electronic binding energy, lattice oscillation frequency, elasticity and plasticity (IHPR), thermal stability, photon emisibility, reactivity, dielectrics,…
It is shown that the interaction potentials for argon, krypton, xenon, carbon dioxide, ammonia, water, n-pentane, n-octane, 1-propanol, suggested in [1] cannot describe experimental second density virial coefficient data within their…
The recently formulated framework of anisotropic hydrodynamics is used in 3+1 dimensions to study behavior of matter created in relativistic heavy-ion collisions. The model predictions for various hadronic observables show that the effects…
The structure of the hadron resonances attracts much attention, in association with the recent observations of various exotic hadrons which do not fit well in the conventional picture. These findings urge us to consider various new…
This report presents consistent insight into the mechanism behind the unusual behavior of nitride compounds from the perspective of tetrahedron bond formation and its consequence on valence density of states. An extension of the recent…
We illustrate the description of correlated subsystems by studying the simple two-body Hydrogen atom. We study the entanglement of the electron and proton coordinates in the exact analytical solution. This entanglement, which we quantify in…
In this paper, we consider Hamiltonian structures of hydrodynamic type and some of their generalizations. In particular, we discuss the questions concerning the structure and special forms of the corresponding Poisson brackets and the…
In order to gain advanced understanding of the kinetics and dynamics of C, N, and O reacting with a solid surface, it is necessary to consider the reaction from the perspectives of bond formation, bond dissociation, bond relaxation, bond…
Titanium borates show promissing hydrogen storage characteristics. Structural relaxation around individual hydrogen atoms and the binding energies are studied by means of the density functional theory methods for a number of hydrogenated…
The effect of glycerol, water and glycerol-water binary mixtures on the structure and dynamics of biomolecules has been well studied. However, a lot remains to be learned about the effect of varying glycerol concentration and temperature on…
This paper presents for the first time the exact structures at the atomic level of two important nanomaterials, boron nitride and coronene. Both these compounds are hexagonal layer structures similar to graphene in two dimensions and to…
Hydrogen bonding is a phenomenon of paramount importance in room-temperature ionic liquids. The presence or absence of the hydrogen bond drastically alternates self-diffusion, shear viscosity, phase transition points, and other key…
The atomic structure of icosahedral B$_4$C boron carbide is determined by comparing existing infra-red absorption and Raman diffusion measurements with the predictions of accurate {\it ab initio} lattice-dynamical calculations performed for…