Application of chiral cationic iridium(III) complexes for triplet-triplet annihilation up-conversion of photon energy in R-limonene [0.03%]
手性阳离子铱配合物用于右旋柠檬烯三重态湮灭上转换的应用研究
Akihiko Yamagishi,Jun Yoshida,Hisako Sato
Akihiko Yamagishi
Converting photon energy in a green solvent is a challenge for developing environmentally friendly technologies. Triplet-triplet annihilation up-conversion (TTA-UC) in R-limonene is one such attempt. Since R-limonene is a nonpolar medium, c...
Roméo Veillet,Olivia Venot,Fabiola Citrangolo Destro et al.
Roméo Veillet et al.
The decomposition mechanism of methanethiol (CH3SH) under pyrolysis conditions has been investigated using electronic structure calculations at the CCSD(T)-F12/cc-pVTQ∞ Z-F12//CCSD(T)-F12/cc-pVDZ-F12 level of theory for several potential e...
Light-induced C-H activation on single-atom doped plasmonic silver nanoparticles [0.03%]
单原子掺杂等离激子银纳米粒子上的光诱导C-H活化反应
R Sundheep,Hyun Woo Kim
R Sundheep
The selective conversion of methane, a highly stable molecule, remains a central challenge in catalysis. Plasmonic antenna-reactor systems offer a promising strategy for light-driven methane activation, yet the role of single-atom dopants i...
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors [0.03%]
基于量子处理器的质子转移动力学的近似量子电路编译
Arseny Kovyrshin,Dilhan Manawadu,Edoardo Altamura et al.
Arseny Kovyrshin et al.
Proton transfer reactions are central to chemical and biological systems, where quantum effects-such as tunneling, delocalization, and zero-point motion-critically influence reaction kinetics. Classical methods that capture these phenomena ...
Kenan Uriostegui,Jorge A Lizarraga,Fernando Martínez-Villarino et al.
Kenan Uriostegui et al.
In recent years, it has been suggested that antiaromaticity may, under certain conditions, enhance electron transport. Here, we explore this relationship by analyzing a representative series of antiaromatic molecules, ranging from small and...
Prediction and interpretability analysis of the properties of energetic ionic salts based on machine learning [0.03%]
基于机器学习的离子盐性质的预测及可解释性分析
Xiaoyu Feng,Linhu Pan,Zikang Chen et al.
Xiaoyu Feng et al.
As a significant subset of energetic materials, energetic ionic salts (EISs) have garnered considerable attention due to their potential application in the fields of explosives and propellants. To accelerate their development, this study es...
Controlling the phase behavior and ion mobility of trialkylammonium-based protic ionic liquids: the role of asymmetry [0.03%]
三烷基铵𬭩𬭩盐质子离子液体的相行为及不对称性对离子迁移率的影响研究
Tatiana V Zhalnina,Ekaterina V Tatarintseva,Sergey A Prikhod&#x;ko et al.
Tatiana V Zhalnina et al.
The size, shape, and symmetry of cations and anions in ionic liquids determine the adjustable properties of these industrially relevant liquid salts. In this work, we show how the deliberately introduced asymmetry of cations can change and ...
Intra- and intermolecular H-bonds and π-π stacking driven organization of a triazine-based room temperature phosphorescent emitter [0.03%]
三嗪室温磷光发光体内的分子间氢键和π-堆砌作用力导致的发光体组织化现象
Daniele Malpicci,Elena Lucenti,Luca Zecchinello et al.
Daniele Malpicci et al.
Excitation dependent, multiemissive single component organic materials are receiving evergrowing attention for various applications. In this regard, intermolecular interactions have been revealed to be efficacious in positively affecting ph...
Association reactions in femtosecond laser filaments of hexane studied by time-of-flight mass spectrometry with velocity screening [0.03%]
飞行时间质量筛选质谱研究皮秒激光丝通道己烷中的关联反应
Akitaka Matsuda,Yuya Okumura,Kasumi Hashigaya et al.
Akitaka Matsuda et al.
Femtosecond laser filament-induced reactions in gaseous hexane (C6H14) are studied by time-of-flight ion mass spectrometry. The neutral products are unambiguously distinguished from species produced by ionization for mass analysis, through ...
Unexpected dynamics of peptoid-conjugated dyad systems: ultrafast photoinduced electron transfer in off-facial arrangement [0.03%]
肽类连接双体系的意外动力学行为：非面部排列中的超快光诱导电子转移现象
Suhyun Park,Jinyoung Oh,Soohwan Kim et al.
Suhyun Park et al.
Peptoids (oligo-N-substituted glycines) offer a promising scaffold for photophysical platforms enabling precise control over the geometry between electron acceptor (A) and donor (D) moieties. In this study, we synthesized two peptoid dyads ...