相关论文: Structures of Molecules at the Atomic Level: Caffe…
The electronic properties of nanoscale quantum dots are reviewed. The similarities and differences between these `artificial atoms' and real atoms are discussed and, in particular, the effect of electron correlations is examined. It is…
Coupling of atoms is the basis of chemistry, yielding the beauty and richness of molecules. We utilize semiconductor nanocrystals as artificial atoms to form nanocrystal molecules that are structurally and electronically coupled. CdSe/CdS…
Amino acids are essential to all life. However, our understanding of some aspects of their intrinsic structure, molecular chemistry, and electronic structure is still limited. In particular the nature of amino acids in their crystalline…
It is shown how the QCD sum rules can be applied for the investigation of the density dependence of the nucleon parameters. These characteristics can be expressed through the expectation values of QCD operators in nuclear matter. In certain…
In algebra, atomicity is the study of divisibility by and factorizations into atoms (also called irreducibles). In one side of the spectrum of atomicity we find the antimatter algebraic structures, inside which there are no atoms and,…
The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…
We investigate the effects of inhomogeneities on spin entanglement in many-electron systems from an ab-initio approach. The key quantity in our approach is the local spin entanglement length, which is derived from the local concurrence of…
A variety of homologous carbon chains (HCnH, HCnN, CnS, CnO, and OCnO) are found to exhibit an appealing even-odd effect. Chains containing a number of carbon atoms of a certain parity possess singlet ground states, while members of…
The interaction of carbon atoms with solid carbon monoxide (CO) is a fundamental process in astrochemistry, influencing the formation of complex organic molecules in interstellar environments. This study investigates the adsorption and…
We studied the correlation between the molecular structure and the formation of helical nanofilaments (HNFs) of bent-core dimeric molecules with varying linkage lengths. To obtain precise structural data, a single domain of HNFs was…
The axial-vector molecular structure $\mathcal{M}_{\mathrm{AV}}=(B_{c}^{\ast +}B_{c}^{-} + B_{c}^{\ast - } B_{c}^{+})/2$ is explored in QCD sum rule framework. The mass and current coupling of this compound are found by means of the…
In optical lattices where each site is occupied in its lowest energy state by a superposition of zero, one and two atoms, one can in a controllable manner convert the atomic pair into a molecule while retaining the vacuum and one-atom…
Metabolism displays striking and robust regularities in the forms of modularity and hierarchy, whose composition may be compactly described. This renders metabolic architecture comprehensible as a system, and suggests the order in which…
This report summarizes laboratory measurements of atomic wavelengths, energy levels, hyperfine and isotope structure, energy level lifetimes, and oscillator strengths. Theoretical calculations of lifetimes and oscillator strengths are also…
We use density functional theory to describe the phase behaviors of rigid molecules. The construction of kernel function G(x, P, x, P) is discussed. Excluded-volume potential is calculated for two types of molecules with C_{2v} symmetry.…
The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…
In a recent Physical Review Letter, Kondo and Morimatsu present a QCD sum rule calculation of nucleon-nucleon scattering lengths. They also relate the empirical scattering lengths to the nucleon mass shift in nuclear matter to cast doubt on…
Our curiosity-driven desire to "see" chemical bonds dates back at least one-hundred years, perhaps to antiquity. Sweeping improvements in the accuracy of measured and predicted electron charge densities, alongside our largely bondcentric…
Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La;…
Although a vast amount of experimental information is available on the elongation, compression, and folding of proteins in biochemical processes, very little is known about the real structure and molecular dynamics of DNA at an atomic…