相关论文: Extremely long C-C bonds predicted beyond 2.0 \r{A…
A superhalogen $\rm{F@C_{20}(CN)_{20}}$ and a corresponding Br{\o}nsted superacid were designed and investigated on DFT and DLPNO-CCSD(T) levels of theory. Calculated compounds have outstanding electron affinity and deprotonation energy,…
We study small oscillations of the order parameter in weakly and strongly paired superconductors driven slightly out of equilibrium, in the collisionless approximation. While it was known for quite some time that the amplitude of the…
Extensive infrared spectra of the weakly-bound CO$_2$-CO dimer are observed in the carbon dioxide $\nu_3$ asymmetric stretch region (~2350 cm-1) using a tunable infrared OPO laser source to probe a pulsed slit jet supersonic expansion. Both…
We report our analysis of the properties of galaxy clustering for a new redshift sample of galaxies, the CfA2-South catalog, using statistical methods which do not rely on the assumption of homogeneity. We find that, up to ~ 20 Mpc/h, which…
Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…
The $\lambda$ = 2.06 $\mu$m absorption band of CO$_2$ is widely used for the remote sensing of atmospheric carbon dioxide, making it relevant to many important top-down measurements of carbon flux. The forward models used in the retrieval…
We report the superconductivity of a new quaternary compound ThMo$_2$Si$_2$C, synthesized with the arc-melting technique. The compound crystallizes in a tetragonal CeCr$_2$Si$_2$C-type structure with cell parameters of $a$ = 4.2296 \r{A}and…
Quantum materials with non-trivial band topology and bulk superconductivity are considered superior materials to realize topological superconductivity. In this regard, we report detailed Density Functional Theory (DFT) calculations and Z2…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
We show that the presence of a driven bond in an otherwise diffusive lattice gas with simple exclusion interaction results in long-range density-density correlation in its stationary state. In dimensions $d>1$ we show that in the…
The Hipparcos orbiting observatory has revealed a large number of helium-core-burning "clump" stars in the Galactic field. These low-mass stars exhibit signatures of extra-mixing processes that require modeling beyond the first dredge-up of…
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…
Twenty-five molecule-anion complex systems [I4Tt...X-] (Tt = C, Si, Ge, Sn and Pb; X = F, Cl, Br, I, At) were examined using density functional theory (wB97XD) and ab initio (MP2 and CCSD) methods to demonstrate the ability of the tetrel…
The recently reported nickel carbide superconductor, body centered tetragonal $I4/mmm$ Th$_2$NiC$_2$ with T$_c$ = 8.5 K increasing to 11.2 K upon alloying Th with Sc, is found to have very fine structure in its electronic spectrum,…
The Quark-Meson-Coupling (QMC) model has been applied to the study of the properties of even-even super-heavy nuclei with 96 < Z < 110, over a wide range of neutron numbers. The aim is to identify the deformed shell gaps at N = 152 and N =…
Recent astronomical observations revealed an increasing molecular complexity in the interstellar medium through the detection of a series of large cyclic carbon species. To correctly interpret these detections, a complex analysis is…
To explore the origin of the unusual non-bulk superconductivity with a Tc up to 49 K reported in the rare-earth-doped CaFe2As2 , the chemical composition, magnetization, specific heat, resistivity, and annealing effect are systematically…
In a previous study, we proposed a possibility of high $T_c$ superconductivity in mixed-anion nickelates with $d^{8+\delta}$ electron configuration. The theory was based on the fact that the two-orbital Hubbard model, when all the intra-…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
The concept of chemical bonding is a crucial aspect of chemistry that aids in understanding the complexity and reactivity of molecules and materials. However, the interpretation of chemical bonds can be hindered by the choice of the…