Related papers: Molecular chirality quantification: Tools and benc…
We establish a link between quantum mechanical molecular simulations and the transfer matrix of a molecule. The transfer matrix (T-matrix) of an object provides a complete description of its electromagnetic response. Once the T-matrices of…
Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is in the investigation of reaction mechanisms in condensed-phase and…
Chiral discrimination of enantiomeric biomolecules is vital in chemistry, biology, and medicine. Conventional methods, relying on circularly polarized light, face weak chiroptical signals and potential photodamage. Despite extensive efforts…
As an attempt to understand the homochirality of organic molecules in life, a chemical reaction model is proposed where the production of chiral monomers from achiral substrate is catalyzed by the polymers of the same enatiomeric type. This…
Symmetry is one of the most beautiful yet mysterious concepts in science. In chemical systems, presence of local symmetries at specific fragments often serve as driving forces behind many physicochemical properties, including stability,…
Recently, Tang and Cohen (Science 332, 333, 2011) have demonstrated a scheme to enhance the chiral response of molecules, which relies on the use of circularly polarized light in a standing wave configuration. Here we show a new type of…
Chirality pervades multiple scientific domains-physics, chemistry, biology, and astronomy-and profoundly influences their foundational principles. Recently, the chirality-induced spin selectivity (CISS) phenomenon has captured significant…
We compare the ability of a simulated annealing program and an evolutionary algorithm to find molecules with large molecular average hyperpolarizabilities. This property is an important component of nonlinear optical materials. Both…
Sen's action in two dimensions governs a chiral boson coupled to a two-dimensional metric together with a second chiral boson that couples to a flat two-dimensional metric. This second scalar decouples from the physical degrees of freedom.…
Inducing chirality in optically and electronically active materials is interesting for applications in sensing and quantum information transmission. Two-dimensional (2D) transition metal chalcogenides (TMDs) possess excellent electronic and…
This paper presents a first-principle and global perspective of electromagnetic chirality. It follows for this purpose a bottom-up construction, from the description of chiral particles or metaparticles (microscopic scale), through the…
Biochars have been attracting renewed attention as economical and environmentally friendly carbon sequestration materials with a diverse range of applications. However, experimental developments may be limited by the lack of molecular-level…
The use of the absolute measure of local chirality is championed since it has a uniform distribution for randomly reshuffled chiral components so that any deviations from uniformity in the associated "X-distribution" are directly…
We present a scheme to realize precise discrimination of chiral molecules in a cavity. Assisted by additional laser pulses, cavity fields can evolve to different coherence states with contrary-sign displacements according to the handedness…
We propose a system to visualize the chirality of the protein in brains, which would be helpful to diagnose early neurological degenerative diseases in vivo. These neurological degenerative diseases often occur along with some mark…
This paper develops, in precise quantum electrodynamic terms, photonic attributes of the "optical chirality density", one of several measures long known to be conserved quantities for a vacuum electromagnetic field. The analysis lends…
Chirality refers to the asymmetry of objects that cannot be superimposed on their mirror image. It is a concept that exists in various scientific fields and has profound consequences. Although these are perhaps most widely recognized within…
Molecular chirality plays a crucial role in innumerable biological processes. The chirality of a molecule can typically be identified by its characteristic optical response, the circular dichroism (CD). CD signals have thus long been used…
We propose the characterization of binary cellular automata using a set of behavioral metrics that are applied to the minimal Boolean form of a cellular automaton's transition function. These behavioral metrics are formulated to satisfy…
The chiral source and its mechanism in the molecular system are of great significance in many fields. In this work, we proposed visualized methods to investigate physical mechanism of chiral molecule, where the electric and magnetic…