Chemphyschem : a European journal of chemical physics and physical chemistry
May 9, 2025
A facile and efficient post-synthetic method has been systematically employed to prepare a hybrid silicoaluminophosphate by immobilizing a mixed ligand copper (׀׀) complex comprising 2,9-dimethyl-1,10-phenanthroline and copper nitrate on base-functio...
Chemphyschem : a European journal of chemical physics and physical chemistry
Feb 27, 2025
Accurate and efficient prediction of high energy ligand conformations is important in structure-based drug discovery for the exclusion of unrealistic structures in docking-based virtual screening and de novo design approaches. In this work, we constr...
Chemphyschem : a European journal of chemical physics and physical chemistry
Oct 20, 2022
Advances in flexible electronic devices and robotic software require that sensors and controllers be virtually devoid of traditional electronic components, be deformable and stretch-resistant. Liquid electronic devices that mimic biological synapses ...
Chemphyschem : a European journal of chemical physics and physical chemistry
May 19, 2022
Feature representations, or descriptors, are machines' chemical language that largely shapes the prediction capability, generalizability and interpretability of machine learning models. To develop a generally applicable descriptor is highly warranted...
Chemphyschem : a European journal of chemical physics and physical chemistry
May 19, 2022
Solid-state NMR (ssNMR) spectroscopy has emerged as the method of choice to analyze the structural dynamics of fibrillar, membrane-bound, and crystalline proteins that are recalcitrant to other structural techniques. Recently, H detection under fast...
Chemphyschem : a European journal of chemical physics and physical chemistry
Feb 23, 2022
Inorganic metal halide perovskites, such as CsPbI , have recently drawn extensive attention due to their excellent optical properties and high photoelectric efficiencies. However, the structural instability originating from inherent ionic defects lea...
Chemphyschem : a European journal of chemical physics and physical chemistry
Dec 8, 2017
A molecular robot is a next-generation biochemical machine that imitates the actions of microorganisms. It is made of biomaterials such as DNA, proteins, and lipids. Three prerequisites have been proposed for the construction of such a robot: sensors...
Chemphyschem : a European journal of chemical physics and physical chemistry
Mar 29, 2017
This work demonstrates the computational power of a hydrodynamic photochemical oscillator based on a photochromic naphthopyran generating aperiodic time series. The chaotic character of the time series is tested by calculating its largest Lyapunov ex...