Results 141 to 150 of about 1,061,074 (328)
East European Journal of PhysicsThe paper presents the results of a quantum chemical calculation of a hypothetical Si3MnS structure representing a “hybrid” of the cubic lattice of silicon Si and sphalerite ZnS.
Sh.B. Utamuradova +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.Multicolor optoelectronic synapses are realized by vertically integrating solution‐processed MoS2 thin‐film and SWCNT. The electronically disconnected but interactive MoS2 enables photon‐modulated remote doping, producing a bi‐directional photoresponse.
Jihyun Kim +8 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A multifunctional nanodiamond platform enables pH‐triggered Diazoxide (DZX) delivery and quantum sensing of subcellular radical dynamics in triple‐negative breast cancer cells. Diamond relaxometry revealed reduced lysosomal radicals during DZX‐induced mitochondrial radical elevation, providing insights into redox modulation and organelle‐ resolved ...
Kaiqui Wu +8 more
wiley +1 more source
Nobel Lecture: Quantum chemical models [PDF]
Reviews of Modern Physics, 1999 openaire +1 more source
Near‐Infrared Organic Photovoltaic Electrodes for Subretinal Neurostimulation
Advanced Functional Materials, EarlyView.Organic photovoltaic electrodes based on the D18:Y6 blend enable precise and light‐controlled activation of retinal ganglion cells in a degenerating retina. NIR Light‐driven activation of retinal ganglion cells, tunable stimulation parameters, and biocompatibility with human retinal organoids highlight their potential for next‐generation prosthetics ...
Andrea Corna +10 more
wiley +1 more source
Quantum Chemical Cluster Modeling of Enzymatic Reactions
, 2010 The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the modeling of enzyme active sites and reaction mechanisms. In this thesis, the reaction mechanisms of several enzymes have been investigated using the hybrid density functional B3LYP.
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Advanced Functional Materials, EarlyView.Free‐standing plasmonic gold‐based fractal antennas are fabricated by 3D nanoprinting, employing focused electron beam induced deposition and an optimized purification method to remove carbon while conserving structural fidelity. Simulation and experiment show broadband plasmonic activity, including customizable polarizability, thereby paving the way ...
Verena Reisecker +6 more
wiley +1 more source
Tailoring the Properties of Functional Materials With N‐Oxides
Advanced Functional Materials, EarlyView.The properties of materials bearing N‐oxide groups are often dominated by the polar N+─O− bond. It provides hydrophilicity, selective ion‐binding, electric conductivity, or antifouling properties. Many of the underlying mechanisms have only recently been discovered, and the interest in N‐oxide materials is rapidly growing.
Timo Friedrich +5 more
wiley +1 more source
Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes. [PDF]
Chemphyschem, 2019 Stauch T, Chakraborty R, Head-Gordon M.
europepmc +1 more source
Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule.
Journal of the American Chemical Society, 2017 H. Daver, J. Harvey, J. Rebek, F. Himo
semanticscholar +1 more source