Results 221 to 230 of about 27,503 (307)

Which <i>ab initio</i> calculation methods describe the charge transfer in ionic liquid vapors? Case study on EMIM-OTF reveals the frontier orbitals and the ionization threshold. [PDF]

RSC Adv
Kuusik I, Kivimäki A, Kisand V.
europepmc   +1 more source

Spectroscopic analysis, first order hyperpolarizability, NBO, HOMO and LUMO analysis of 5-oxo-1-phenylpyrrolidine-3-carboxylic acid: Experimental and theoretical approach

, 2018
Poornima Devi, Shaheen Fatma, Huda Parveen, Abha Bishnoi, Ramesh Singh   +4 more
openalex   +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

Symmetrical D-π-A-π-D indanone dyes: a new design for nonlinear optics and cyanide detection. [PDF]

Beilstein J Org Chem
Keleş E, Barsella A, Seferoğlu N, Seferoğlu Z, Aydıner B.   +4 more
europepmc   +1 more source

Comparison and Determine Characteristics Potentials of HOMO/ LUMO and Relationship between Ea and Ip for Squaraine Dyes (SQ1, SQ2) by Using Cyclic Voltammetry and DFT/TD-DFT

, 2017
Sultan A. Al-horaibi
openalex   +1 more source

Multifunctional Phosphate Monomer Enabling LiNO3 Solvation and In Situ Formation of Flame‐Retardant Gel Polymer Electrolyte for High‐Voltage Lithium Metal Batteries

Advanced Science, EarlyView.
A phosphorus‐containing multifunctional monomer is successfully synthesized to simultaneously enable the dissolution of lithium nitrate in ester‐based electrolytes and in situ form a flame‐retardant gel polymer electrolyte (GPE). The formed GPE effectively stabilizes the structures of both the cathode and anode, thereby achieving superior long‐term ...
Lijun Ma, Lu Lu, Tianqi Xiang, Yaxin Wang, Jianjun Zhou, Lin Li   +5 more
wiley   +1 more source

High‐Efficiency TADF Dendritic Emitters Enabled by Synchronously Inhibiting Degenerated Triplet Excited States and Structural Relaxation Toward Solution‐Processed OLEDs with EQE Over 33%

Advanced Science, EarlyView.
Asymmetrical thermally activated delated fluorescence dendritic emitters are delicately constructed through symmetry breaking strategy, and near‐unity photoluminescence efficiency and excellent reverse intersystem crossing process are achieved via breaking the degeneracy of vibrational levels and boosting the spin flip of triplet excitons.
Xiaoxiang Yu, Wei Ping, Chengshuang Song, Jinyang Zhao, Lei Hua, Junjie Wang, Shian Ying, Yuchao Liu, Zhongjie Ren, Shouke Yan   +9 more
wiley   +1 more source

Subshell Stability in Superatomic Clusters and the Formation of Stable Magnetic Motifs. [PDF]

J Phys Chem A
Kumar D, Reber AC, Khanna SN.
europepmc   +1 more source

Molecular Docking, Electronic Properties, Quantum Chemical Analysis (PES, MEP, HOMO–LUMO, FMO, NLO) and Spectroscopic (FT–IR, FT–RAMAN, UV–Vis–NIR) Investigations of Quinoxaline

G. Theophil Anand, M. Sivasubramanian, I. Manimehan, P. Jagdish, P. Paramasivam, R. K. Asmitha   +5 more
openalex   +2 more sources

Aggregation‐Induced Resonance Energy Transfer in Polymer Dots to Boost Electrochemiluminescence Performance for Bioimaging of Glycan on Cells

Advanced Science, EarlyView.
This study pioneers an aggregation‐induced resonance energy transfer mechanism by synergistically integrating aggregation‐induced emission (AIE), resonance energy transfer (RET), and thermally activated delayed fluorescence (TADF) within co‐reactant conjugated polymers to develop self‐enhanced ECL emitters, which achieves an ECL efficiency up to 92.6 ...
Chao Wang, Mengjiao Li, Yiran Li, Xiangfu Hu, Chunlan Li, Ningning Wang, Huangxian Ju   +6 more
wiley   +1 more source