相关论文: A Classification Scheme for Toroidal Molecules
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…
Self-organized monolayers of highly flexible \Frechet dendrons were deposited on graphite surfaces by solution casting. Scanning tunneling microscopy (STM) reveals an unprecedented variety of patterns with up to seven stable hierarchical…
We investigate a system of equally charged Coulomb-interacting particles confined to a toroidal helix in the presence of an external electric field. Due to the confinement, the particles experience an effective interaction that oscillates…
Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules are performed to create a reference data set. The molecules are composed from carbon, hydrogen, nitrogen, oxygen, fluorine, sulfur,…
Square-triangle-rhombus ($\mathcal{STR}$) tilings are encountered in various self-organized multi-component systems. They exhibit a rich structural diversity, encompassing both periodic tilings and long-range ordered quasicrystals,…
Magnetic molecules are a class of compounds that is also investigated in view of their magnetocaloric properties. The isothermal entropy change and the adiabatic temperature change are key figures of merit for magnetocaloric performance.…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
The detection of vibrational excitations of individual molecules on surfaces by scanning tunneling spectroscopy does not obey strict selection rules but rather propensity rules. The experimental verification of these is challenging because…
The degree of randomness, or partial order, present in two-dimensional supramolecular arrays of isophthalate tetracarboxylic acids is shown to vary due to subtle chemical changes such as the choice of solvent or small differences in…
All edge-to-edge tilings of the sphere by congruent regular triangles and congruent rhombi are classified as: (1) a $1$-parameter family of protosets each admitting a unique $(2a^3,3a^4)$-tiling like a triangular prism; (2) a $1$-parameter…
This paper introduces a new systematic algorithm for constructing periodic Euclidean weaving diagrams with combinatorial arguments. It is shown that such a weaving diagram can be considered as a specific type of four-regular periodic planar…
Colloidal molecules are ideal model systems for mimicking real molecules and can serve as versatile building blocks for the bottom-up self-assembly of flexible and smart materials. While most colloidal molecules are rigid objects, the…
We consider a Hubbard-Anderson model which describes localized orbitals in five different sites hybridized both among themselves and with a continuum of extended states. A square planar geometry with an atom at the center is used to…
In this short article, we overview a concept of electronic toroidal multipoles, and their ordering with associated physical properties in non-magnetic and magnetic materials. The toroidal multipoles are introduced as microscopic electronic…
The Taylor-Socolar tilings are regular hexagonal tilings of the plane but are distinguished in being comprised of hexagons of two colors in an aperiodic way. We place the Taylor-Socolar tilings into an algebraic setting which allows one to…
We describe limits of line bundles on nodal curves in terms of toric arrangements associated to Voronoi tilings of Euclidean spaces. These tilings encode information on the relationship between the possibly infinitely many limits, and…
We decipher intrinsic three-dimensional shape distributions of molecular clouds, cloud cores, Bok globules, and condensations using recently compiled catalogues of observed axis ratios for these objects mapped in carbon monoxide, ammonia,…
Rings comprising chemically bonded atoms are essential topological motifs for the structural ordering of network-forming materials. Quantification of such larger motifs beyond short-range pair correlation is essential for understanding the…
The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance based scanning tunneling microscopy can potentially…
Using the effective mass theory and the multi-valley envelope function representation, we have developed a theoretical framework for computing the single-electron electronic structure of several phosphorus donors interacting in an arbitrary…