Results 151 to 160 of about 2,318,291 (294)

Modern Quantum Chemistry Methodology for Predicting ³¹P Nuclear Magnetic Resonance Chemical Shifts. [PDF]

Int J Mol Sci
Rusakova IL, Rusakov YY.
europepmc   +1 more source

Fluorescent Nanodiamonds Based Theranostic Platform for pH‐Sensitive Drug Delivery and Quantum Sensing

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, Siyu Fan, Yue Zhang, Willem Woudstra, Thomas Mulder, Laurens Boscher Navarro, Jur van Dijken, Katja Loos, Romana Schirhagl   +8 more
wiley   +1 more source

Bridging the gap between molecules and materials in quantum chemistry with localized active spaces. [PDF]

Nat Commun
King DS, Jangid B, Hermes MR, Gagliardi L.   +3 more
europepmc   +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, Katarina Gugujonovic, Manuela Schiek, Alessandro Bellapianta, Paul Werginz, Amelie Ziller, Markus Clark Scharber, Ahmad Salti, Matthias Bolz, Mihai Irimia‐Vladu, Günther Zeck   +10 more
wiley   +1 more source

Quantum Information Theory on Sparse Wave Functions and Applications for Quantum Chemistry. [PDF]

J Phys Chem A
Materia D, Ratini L, Guidoni L.
europepmc   +1 more source

Photonic Engineering Enables All‐Passive Upconversion Imaging with Low‐Intensity Near‐Infrared Light

Advanced Functional Materials, EarlyView.
A passive upconversion imaging system enables the observation of scenes illuminated by low‐intensity incoherent near‐infrared light from 750 to 930 nm, by converting it into the visible without the use of external power. The upconverter is enabled by triplet–triplet annihilation in a bulk heterojunction, with absorption enhanced by plasmonic resonators
Rabeeya Hamid, Demeng Feng, Pournima Narayanan, Justin S. Edwards, Manchen Hu, Emma Belliveau, Minjeong Kim, Shenwei Yin, Sanket Deshpande, Chenghao Wan, Linda Pucurimay, David A. Czaplewski, Daniel N. Congreve, Mikhail A. Kats   +13 more
wiley   +1 more source

Fragme∩t: An Open-Source Framework for Multiscale Quantum Chemistry Based on Fragmentation. [PDF]

Wiley Interdiscip Rev Comput Mol Sci
Broderick DR, Bowling PE, Brandt C, Childress S, Shockey J, Higley J, Dickerson H, Ahmed SS, Herbert JM.   +8 more
europepmc   +1 more source

The Realization of Multidirectional, Free‐Standing 3D Plasmonic Nanostructures via 3D Nanoprinting: A Case Study of Fractal Antennas

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, Robert Winkler, Ulrich Hohenester, Evelin Fisslthaler, Daniel Knez, Gerald Kothleitner, Georg Haberfehlner   +6 more
wiley   +1 more source

Information Theory Meets Quantum Chemistry: A Review and Perspective. [PDF]

Entropy (Basel)
Zhao Y, Zhao D, Rong C, Liu S, Ayers PW.
europepmc   +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, Michelle Kobus, Shirin Mesgarha, Erica Moretto, Laurens Grosche, Wolfgang Maison   +5 more
wiley   +1 more source