Catechinic compounds suppress free radicals in camellia oil by donating hydrogen atoms: quantum chemistry calculation combined with EPR detection. [PDF]
Chen Y +6 more
europepmc +1 more source
Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang +4 more
wiley +1 more source
Spectrochemical, medicinal, and toxicological studies of moxifloxacin and its novel analogs: a quantum chemistry and drug discovery approach. [PDF]
Al-Amin M +6 more
europepmc +1 more source
Generating Unconventional Spin‐Orbit Torques With Patterned Phase Gradients in Tungsten Thin Films
ABSTRACT A key aim in spintronics is to achieve current‐induced magnetization switching via spin‐orbit torques without external magnetic fields. For this, the focus of recent work has been on introducing controlled lateral gradients across ferromagnet/heavy‐metal devices, giving variations in thickness, composition, or interface quality.
Lauren J. Riddiford +9 more
wiley +1 more source
Quantum Chemistry Based Simulation of Enantioseparation on Cyclodextrin- and Polysaccharide-Based Chiral Stationary Phases. [PDF]
Nelles-Ziegler L, Plett C, Grimme S.
europepmc +1 more source
Emergent Spin Supersolids in Frustrated Quantum Materials
This review highlights developments in the study of spin super‐solids in frustrated quantum materials. Advanced experimental characterizations and computational studies enable a comprehensive understanding of the driving mechanisms of spin super‐solidity in various layered transition‐metal compounds, bridging materials, experiments, and theory aspects.
Yixuan Huang +2 more
wiley +1 more source
Advantages of two quantum programming platforms in quantum computing and quantum chemistry. [PDF]
Wang PH +4 more
europepmc +1 more source
Trions as Fundamental Species in Chemically Doped Polymer Semiconductors
This work shows that exciton–charge carrier coupling in doped polymer semiconductors gives rise to multi‐particle states, including trions—quasiparticles consisting of two holes and one electron under p‐doping—and bound exciton‐hole pairs, as identified through spectroscopic and theoretical analysis.
Hongmo Li +23 more
wiley +1 more source
Acoustic Cavitation-Induced Unfolding and Solubilization of Velvet Antler Protein for Antioxidant Peptide Release: Substrate Modification Kinetics, Quantum Chemistry, and Keap1/Nrf2-Associated Cellular Responses. [PDF]
Xin X +6 more
europepmc +1 more source
Co1/3TaS2${\rm Co}_{1/3}{\rm TaS}_{2}$ hosts a triple‐Q noncoplanar antiferromagnetic state with coexisting Z3${\rm Z}_3$ electronic nematicity. We report rotational hysteresis observed in both magnetoresistance and magnetic torque, revealing strongly pinned in‐plane weak ferromagnetic moments in the triple‐Q phase and the magnetism‐driven nature of ...
Joonyoung Choi +5 more
wiley +1 more source

