Related papers: Molecular chirality quantification: Tools and benc…
In photoelectron circular dichroism (PECD) it is generally difficult to trace how and when the chirality of the molecule is imprinted onto the photoelectron. We present simulations of PECD in a simple model and employ chirality measures to…
Molecular chirality plays fundamental roles in biology. The chiral response of a molecule occurs at a specific spectral position, determined by its molecular structure. This fingerprint can be transferred to other spectral regions via the…
Biomolecules are often very long with a definite chirality. DNA, xanthan and poly-gamma-benzyl-glutamate (PBLG) can all form columnar crystalline phases. The chirality, however, competes with the tendency for crystalline order. For chiral…
We examine the recently introduced measure of chirality of a monochromatic optical field [Y. Tang and A. E. Cohen, Phys. Rev. Lett. 104, 163901 (2010)] using the momentum (plane-wave) representation and helicity basis. Our analysis…
The article seeks to formulate a synergetic law that is posited to be of common physicochemical and biological nature: an evolving system, possessing free energy and elements with chiral asymmetry may change the type of symmetry inside one…
We propose a predictive building-up of tetrahedral molecules, based on a previously derived chirality index, which characterizes a tetrahedral molecule, with n chiral centers, as achiral, diastereoisomer, or enantiomer as a function of the…
Chirality is a fundamental molecular property that governs stereospecific behavior in chemistry and biology. Capturing chirality in machine learning models remains challenging due to the geometric complexity of stereochemical relationships…
Molecules with identical graph connectivity can exhibit different physical and biological properties if they exhibit stereochemistry-a spatial structural characteristic. However, modern neural architectures designed for learning…
The presence of chirality in the main molecules of life may well be not just a structural artifact, but of pure biological advantage. The possibility of the existence of a phenomenon of a special mode of interaction, labeled as "chiral…
The differential response of chiral molecules to incident left- and right- handed circularly polarized light is used for sensing the handedness of molecules. Currently, significant effort is directed towards enhancing weak differential…
Chirality ubiquitously appears in nature, however, its quantification remains obscure owing to the lack of microscopic description at the quantum-mechanical level. We propose a way of evaluating chirality in terms of electric toroidal…
Chirality pervades natural processes from the atomic to the cosmic scales, crucially impacting molecular chemistry and pharmaceutics. Traditional chirality sensing methods face challenges in sensitivity and efficiency, prompting the quest…
We consider the kinematics of bi-partite quantum states as determined by observable quantities, in particular the Bloch vectors of the subsystems. In examining the simplest case of a pair of two-level systems, there is a remarkable…
We introduce a notion of chirality for generic quantum states. A chiral state is defined as a state which cannot be transformed into its complex conjugate in a local product basis using local unitary operations. We introduce a number of…
Optical chirality density is widely used as a scalar measure of the chiral properties of electromagnetic fields and their interaction with matter. However, in anisotropic and structured media, a single scalar quantity is generally…
Quantum mechanics/molecular mechanics (QM/MM) is a standard computational tool for describing chemical reactivity in systems with many degrees of freedom, including polymers, enzymes, and reacting molecules in complex solvents. However,…
Chiral molecules interact and react differently with other chiral objects, depending on their handedness. Therefore, it is essential to understand and ultimately control the evolution of molecular chirality during chemical reactions.…
We developed a method for measuring the similarity between materials, focusing on specific physical properties. The obtained information can be utilized to understand the underlying mechanisms and to support the prediction of the physical…
Chiral objects rotate when placed in a collimated flow or wind. We exploit this hydrodynamic intuition to construct a tensorial chirality measure for rigid filaments and curves. This tensor is trace-free, so if a curve has a right-handed…
Chiral and axial materials offer platforms for intriguing phenomena, such as cross-correlated responses and chirality-induced spin selectivity. However, quantifying the properties of such materials has generally been considered challenging.…