Results 141 to 150 of about 67,162 (295)

Why Computational Photochemistry Is Challenging and Will Probably Remain So: A Quantum Chemist's Perspective

Advanced Science, EarlyView.
Computational Photochemistry has made great strides in recent decades, but the investigation of larger molecules remains a challenge due to the inherent dilemma between the increasing computational accuracy required as the molecule size increases and the inevitable explosion in computational effort.
Andreas Dreuw
wiley   +1 more source

Record‐High Performance Hyperfluorescent OLEDs Achieved via Electronic Structure Control of Chlorine‐Diversified MR‐TADF Emitters

Advanced Science, EarlyView.
A late‐stage diversification strategy for the benchmark MR‐TADF emitter ω‐DABNA enables precise electronic structure control via chlorine‐activated functionalization. The resulting derivatives achieve tunable emission from 523 to 533 nm with record‐high EQE1000 up to 34.0% and excellent color purity (CIEy = 0.70–0.73), establishing a versatile platform
Taehwan Lee, Junki Ochi, Shigetada Uemura, Feiran Liu, Jiping Hao, Yasuhiro Kondo, Masahiro Hayakawa, Takuji Hatakeyama   +7 more
wiley   +1 more source

Fourier-transform-spectroscopic photoabsorption cross sections and oscillator strengths for the S₂ BΣu-3-XΣg-3 system. [PDF]

J Chem Phys, 2018
Stark G, Herde H, Lyons JR, Heays AN, de Oliveira N, Nave G, Lewis BR, Gibson ST.   +7 more
europepmc   +1 more source

Energy‐Resolved Femtosecond Dynamics of Plasmon‐Induced Hole Injection at Au/GaN Heterointerfaces

Advanced Science, EarlyView.
We reveal the spectral signature of ultrafast nonthermal hot‐hole transfer at plasmonic heterointerfaces, which reshapes hot‐carrier relaxation dynamics and significantly enhances hydrogen evolution, providing a mechanistic basis for optimizing hot‐carrier utilization in photocatalysis.
Yuying Gao, Yuxin Xie, Jonathan Diederich, Christian Höhn, Klaus Schwarzburg, Fengtao Fan, Can Li, Roel van de Krol, Dennis Friedrich   +8 more
wiley   +1 more source

Molecularly Engineered Phenoxazinone‐Skeleton Cascade‐Activated NIR Probes for Monitoring Fe2+/Viscosity in Ferroptosis‐Mediated Parkinson's Disease

Advanced Science, EarlyView.
A series of Fe2+/viscosity cascade‐activated NIR fluorescence probes (NP1–5) are synthesized, and NP3 is selected for its optimal properties. To verify application of NP3 in ferroptosis intervention in PD, PQR NPs, is constructed by NP3 and quercetin self‐assembling.
Lixia Guo, Tao Liu, Hongfei Wang, Qi Gao, Zhaobo Yang, Zumeng Wang, Chenlong Li, Yubing Kang, Kahleong Lim, Wen Liu, Li Lu, Chengwu Zhang   +11 more
wiley   +1 more source

Oscillator strengths and collision strengths for S II

The Astrophysical Journal, 1983
Y. K. Ho, R. J. W. Henry
openaire   +1 more source

Multi‐Physical Field Modulated P‐Bit Device Based on VO2 Thin Film

Advanced Science, EarlyView.
We have proposed a VO2‐based P‐bit device where synergistic multi‐physical field modulation enables real‐time tunability of randomness. Besides introducing a new phase‐change material‐based device approach for high‐performance P‐bits, this study also demonstrates a synergistic multi‐physical field modulation strategy that opens new opportunities for ...
Bowen Sun, Jianjun Li, Ting Zhou, Jinglin Zhu, Meiling Liu, Zhihan Lin, Chang Wang, Chengyu Li, Yingxue Chen, Xiaokun Huo, Chongwen Zou   +10 more
wiley   +1 more source

Oscillator strengths of the red autoionizing lines of calcium [PDF]

Shock tube measurement of calcium autoionization line oscillator strength for use in stellar atmospheric model ...
Newsom, G. H.
core   +1 more source

Artificial Intelligence Predictions in Huge Chemical Spaces: Chiroptical Properties of [6]‐helicene Family

Advanced Science, EarlyView.
This study shows that a local, data‐driven AI model can accurately predict diverse optical and chiroptical properties of [6]helicenes using information from close structural neighbours. Combined with genetic algorithms, it enables inverse design for tailored properties, establishing practical structure–property rules for efficient molecular discovery ...
Rafael G. Uceda, Sandra Míguez‐Lago, Carlos M. Cruz, Boris Pérez‐Cañedo, Alfonso Gijón, Luis Álvarez de Cienfuegos, Antonio J. Mota, Delia Miguel, Juan M. Cuerva   +8 more
wiley   +1 more source

Quantum mechanical study of molecules transition probabilities, Einstein A coefficients and oscillator strengths of some band systems of diatomic molecules [PDF]

Quantum mechanical study of transition probabilities, Einstein A coefficients, and oscillator strengths of band systems of diatomic ...
Jain, D. C., Sahni, R. C.
core   +1 more source