Related papers: Structure and bonding of second-row hydrides
Based on bond arguments, a Hamiltonian is introduced to describe the fundamental physics of the collective rotations of oxygen atoms in oxides. Values for the relevant material parameters are estimated for silica and Cu oxides.…
The structure of a dressed quark is utilized to evaluate the structure function of proton and pion. It is found that there is a simple relationship between $F_{2}^{p}$ and $F_{2}^{\pi}$. The ambiguity in the normalization of $F_{2}^{\pi}$…
Extreme pressures and temperatures are known to drastically affect the chemistry of iron oxides resulting in numerous compounds forming homologous series $n$FeO$\cdot m$Fe$_2$O$_3$ and the appearance of FeO$_2$. Here, based on the results…
Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we…
Li2GeO3, a ternary electrolyte compound of Li+-based battery, presents the unusual essential properties. The main features are thoroughly explored from the first-principles calculations. The concise pictures, the critical orbital…
Reaching superconductivity at ambient conditions is one of the biggest scientific dreams. The discoveries in the last few years at high pressures place hydrogen-based compounds as the best candidates for making it true. As the recent…
Charge injection in terms of anions, cations, electrons, lone pairs, protons, and molecular dipoles by acid,base, salt and organic molecular solvation mediates the O:HO bonding network and properties of the solution through O:H formation,…
The complex crystal chemistry of elemental boron has led to numerous proposed structures with distinctive motifs as well as contradictory findings. Herein, evolutionary structure searches performed at 100 GPa have uncovered a series of…
We calculate the atomic structure of hydrogen and helium, atoms and molecules in an intense magnetic field, analytically and numerically with a judiciously chosen basis.
Hydrogen bonding is modeled in terms of virtual exchange of protons between water molecules. A simple lattice model is analyzed, using ideas and techniques from the theory of correlated electrons in metals. Reasonable parameters reproduce…
We extend the notion of connection in order to be able to study singular geometric structures, namely, we consider a notion of connection on a Lie algebroid which is a natural extension of the usual concept of connection. Using connections,…
Modeling the atomic structure of amorphous materials has long been a critical challenge in materials science. Recent advances in monolayer amorphous materials enable direct observation of their atomic structures, paving the way for a better…
A hierarchical ordering is demonstrated for the periodic orbits in a strongly coupled multidimensional Hamiltonian system, namely the hydrogen atom in crossed electric and magnetic fields. It mirrors the hierarchy of broken resonant tori…
Hydrogen, helium, silicates, and iron are key building blocks of rocky and gas-rich planets, yet their chemical interactions remain poorly constrained. Using first-principles molecular dynamics and thermodynamic integration, we quantify…
The recent discovery of borophene, a two-dimensional allotrope of boron, raises many questions about its structure and its chemical and physical properties. Boron has a high chemical affinity to oxygen but little is known about the…
This paper is devoted to survey composition algebras and some of their applications. After overviewing the classical algebras of quaternions and octonions, both unital composition algebras (or Hurwitz algebras) and symmetric composition…
We review studies of the electromagnetic response of various classes of correlated electron materials including transition metal oxides, organic and molecular conductors, intermetallic compounds with $d$- and $f$-electrons as well as…
A review with 106 references of the recent advances in understanding the structure, dynamics, and photodynamics of solvated electrons in polar liquids (and, to some degree, clusters): water, alcohols, ammonia, ethers. Both the orthodox…
We discuss the connection between the chemistry of dense interstellar clouds and those characteristics of cometary matter that could be remnants of it. The chemical evolution observed to occur in molecular clouds is summarized and a model…
An effective Hamiltonian is considered for hydrogen bonding between two molecules due to the quantum mechanical interaction between the orbitals of the H-atom and the donor and acceptor atoms in the molecules. The Hamiltonian acts on two…