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排序方式: 共有395条查询结果,搜索用时 15 毫秒
1.
Molecular Diversity - In this study, an efficient and convenient domino Michael addition/intramolecular cyclization protocol is presented for the synthesis of biologically relevant... 相似文献
2.
Anna Chandrasekar Murali Prakash Nayak Shashwat Nayak Sabyasachi Das Dr. Satyaprasad P. Senanayak Prof. Krishnan Venkatasubbaiah 《Angewandte Chemie (International ed. in English)》2023,62(11):e202216871
Development of new n-type semiconductors with tunable band gap and dielectric constant has significant implication in dissociating bound charge carrier relevant for demonstrating high performance optoelectronic devices. Boron-β-thioketonates (MTDKB), analogues to boron-β-diketonates containing a sulfur atom in the framework of β-diketones were synthesized. Bulk transport measurement exhibited an outstanding bulk electron mobility of ≈0.003 cm2 V−1 s−1, which is among the best values reported till date in these class of semiconducting materials and correspondingly a single junction photo responsivity of upto 6 mA W−1 was obtained. This new family of O,S-chelated boron compounds exhibited luminescence in the far red/near-infrared region. The remarkable red shift of 89 nm (fluorescence) observed for 4 a in comparison with analogues boron-β-diketonate signifies the importance of sulfur in these molecules. MTDKBs with amine functionality have also been investigated as an ON/OFF fluorescent sensor. 相似文献
3.
Subhajit Chakraborty Risov Das Mohd Riyaz Kousik Das Ashutosh Kumar Singh Debabrata Bagchi Chathakudath P. Vinod Sebastian C. Peter 《Angewandte Chemie (International ed. in English)》2023,62(9):e202216613
We present surface reconstruction-induced C−C coupling whereby CO2 is converted into ethylene. The wurtzite phase of CuGaS2. undergoes in situ surface reconstruction, leading to the formation of a thin CuO layer over the pristine catalyst, which facilitates selective conversion of CO2 to ethylene (C2H4). Upon illumination, the catalyst efficiently converts CO2 to C2H4 with 75.1 % selectivity (92.7 % selectivity in terms of Relectron) and a 20.6 μmol g−1 h−1 evolution rate. Subsequent spectroscopic and microscopic studies supported by theoretical analysis revealed operando-generated Cu2+, with the assistance of existing Cu+, functioning as an anchor for the generated *CO and thereby facilitating C−C coupling. This study demonstrates strain-induced in situ surface reconstruction leading to heterojunction formation, which finetunes the oxidation state of Cu and modulates the CO2 reduction reaction pathway to selective formation of ethylene. 相似文献
4.
Sabyasachi Kar Yu‐Shu Wang Wei‐Qi Li Xiu‐Dong Sun 《International journal of quantum chemistry》2015,115(22):1573-1579
The effect of plasma screening on the dynamic dipole polarizability (DPP) of two‐electron ions Be2+, B3+, and C4+ has been investigated using highly correlated exponential wave functions within the framework of pseudostate summation technique and Debye screening concept. Plasma‐screening effect on the oscillator strengths (OS) of the ultraviolet and visible series has also been investigated for the systems Li+, Be2+, B3+, C4+. The DPP are reported as functions of screening parameters. The OS for S‐P transitions are also reported for various screening parameters. The OS and dynamic polarizability show interesting behavior with increasing screening strength and nuclear charge. © 2015 Wiley Periodicals, Inc. 相似文献
5.
Weber Jeffrey K. Morrone Joseph A. Bagchi Sugato Pabon Jan D. Estrada Kang Seung-gu Zhang Leili Cornell Wendy D. 《Journal of computer-aided molecular design》2022,36(5):391-404
Journal of Computer-Aided Molecular Design - We here present a streamlined, explainable graph convolutional neural network (gCNN) architecture for small molecule activity prediction. We first... 相似文献
6.
Keshab Chandra Bagchi 《Applied Scientific Research》1966,16(1):131-140
Summary The flow of a Reiner-Rivlin fluid between two coaxial porous circular cylinders has been studied. The inner cylinder performs a steady oscillation while the outer one is fixed.The exact solution of this problem has been obtained and approximate solutions for the two extreme cases, very small and very high frequencies, have been derived. 相似文献
7.
Hua‐Wei Li Sabyasachi Kar Pinghui Jiang 《International journal of quantum chemistry》2013,113(10):1493-1497
The effects of Debye plasma on the frequency‐dependent polarizabilities of Li and Na atoms are investigated using symplectic algorithm within the framework of the pseudostate summation technique. Dynamic dipole polarizabilities of Li (2s 2S) and Na(3s 2S) as functions of scaled number density of the plasma electrons for arbitrary plasma temperature are presented. Screening effects on the resonance frequencies are also presented. In free‐atomic cases, our calculated results are comparable with the reported theoretical and experimental predictions. © 2012 Wiley Periodicals, Inc. 相似文献
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