Related papers: Chemical bonding in three-membered ring systems
We investigate the $^9$Be + $^{208}$Pb elastic scattering, breakup and fusion at energies around the Coulomb barrier. The three processes are described simultaneously, with identical conditions of calculations. The $^{9}$Be nucleus is…
The nonbonding interaction between benzene and methane, called CH-{\pi} interaction, plays an important role in physical, chemical, and biological fields. CH-{\pi} interaction can decrease the system total energy and promote the formation…
A global diabatization scheme, based on the ``valence-hole'' concept, has been previously applied to model webs of avoided-crosssings that exist in four electronic-state symmetry manifolds of C$_2$ ($^1\Pi_g$, $^3\Pi_g$, $^1\Sigma_u^+$,…
Oscillating chemical reactions result from complex periodic changes in the concentration of the reactants. In spatially ordered ensembles of candle flame oscillators the fluctuations in the ratio of oxygen atoms with respect to that of…
The Seebeck coefficient, $S=L_{12}/(TL_{11})$, which is proportional to a ratio of the thermoelectric conductivity $L_{12}$ to the electric conductivity $L_{11}$ with $T$ being temperature is examined for two-dimensional Dirac electrons in…
The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that…
A study of the 7Li(9Be,4He9Be)3H reaction at E{beam}=70 MeV has been performed using resonant particle spectroscopy techniques and provides a measurement of alpha-decaying states in 13C. Excited states are observed at 12.0, 13.4, 14.1,…
A simple analytic expression of the three-body wave function describing the system $(\alpha\alpha n)$ in the ground state $\frac{3}{2}^-$ of ${}^9\mathrm{Be}$ is obtained. In doing this, it is assumed that the $\alpha$ particles interact…
This study continues our in-depth investigation of total-eclipse W Ursae Majoris-type contact binaries by analyzing eight new systems, complementing our previous work. Multiband $BVR_cI_c$ photometric data were acquired through ground-based…
We have compared the ground-state energy of several observed or proposed " 2 \sqrt{2} x 2 \sqrt{2} oxygen (O) ordered superstructures " (from now on HS), with those of "chain superstructures" (CS) (in which the O atoms of the basal plane…
We use a non-relativistic model to study the mass spectroscopy of a tetraquark composed by $c \, \bar{c} \, c \, \bar{c}$ quarks in the diquark-antidiquark picture. By numerically solving the Schr\"{o}dinger equation with a Cornell-inspired…
A three-body model of $^{14}$C+n+n is applied to study the energy spectrum and the hindered $E$2 transition in $^{16}$C. A realistic two-nucleon potential is used for the valence neutrons. Both spin singlet and triplet components for the…
Three-dimensional (3D) Faddeev integral equations are solved for three-body (3B) bound state problem without using the partial wave (PW) form of low momentum two-body (2B) interaction $V_{low-k}$ which is constructed from spin independent…
Hydrogenated silicenes possess peculiar properties owing to the strong H-Si bonds, as revealed by an investigation using first principles calculations. The various charge distributions, bond lengths, energy bands, and densities of states…
We consider a diatomic chain characterized by a cubic anharmonic potential. After diagonalizing the harmonic case, we study in the new canonical variables, the nonlinear interactions between the acoustical and optical branches of the…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
Molecular machines described in this paper are meant to be such molecular systems that make use of conformational mobility (i.e. hindered rotation around chemical bonds and molecular construction deformations with formation and breakage of…
We investigate to what extent a description of 12Be as a three-body system made of an inert 10Be-core and two neutrons is able to reproduce the experimental 12Be data. Three-body wave functions are obtained with the hyperspherical adiabatic…
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…
We observe long-range $^{85}$Rb and $^{87}$Rb (24$D$+5$S_{1/2}$) Rydberg molecules for eight different spin couplings, with binding energies up to 440~MHz and sub-percent relative uncertainty. Isotopic effects of the molecular binding…