Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Fu Qiang Zhou"'
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 144 Issue 5, p1-12, 12p, 3 Diagrams, 2 Charts, 8 Graphs
Autor:
Jun Zhang, Fu-Qiang Zhou, Mengyao She, Sheng-Yong Zhang, Bing Yin, Ru-Fang Zhao, Jin-Feng Li, Jianli Li
Publikováno v:
Organic Chemistry Frontiers. 6:2607-2618
The reaction mechanisms of Pd(II)-catalyzed exclusive C4-fluoroalkylation of indole, with an acetyl group as the directing group at the C3 site, were explored via density functional theory calculations (DFT). Our results reveal that the regioselectiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89efcbb84fd59ce1c6cce301a8b224f0
https://doi.org/10.1039/c8qo01338a
https://doi.org/10.1039/c8qo01338a
Publikováno v:
Dalton Transactions. 48:16184-16198
Based on systematic DFT calculations, silaborane-based superhalogen anions, which obey the Wade–Mingos rule, are shown to be capable of giving rise to superacids via their combination with protons. Compared to previous carborane-based systems, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab0e8b9f418ccc20fd9c4e75d34531d5
https://doi.org/10.1039/c9dt03616d
https://doi.org/10.1039/c9dt03616d
Publikováno v:
Inorganic Chemistry Frontiers. 5:2934-2947
The potential of 63 Wade–Mingos-type superhalogens to construct effective superacids via their composites with protons in both gas phase and solution was systematically explored by DFT calculations in this study. With a few exceptions, all the comp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab01e1611fbc45e72e51542d6b53fb85
https://doi.org/10.1039/c8qi00647d
https://doi.org/10.1039/c8qi00647d
Publikováno v:
International Journal of Machine Learning & Cybernetics; Jun2022, Vol. 13 Issue 6, p1781-1794, 14p
Publikováno v:
Inorganic Chemistry. 56:11787-11797
A series of 27 composite structures, consisting of superhalogen and Brønsted acid, is designed and systematically studied based on combined ab initio and DFT calculations focusing on their potentials as novel superacids. As indicated by high-level C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9de9a2ae28f2067c37b71dd9e1b45c69
https://doi.org/10.1021/acs.inorgchem.7b01754
https://doi.org/10.1021/acs.inorgchem.7b01754
Publikováno v:
Phys. Chem. Chem. Phys.. 19:26986-26995
A combined ab initio and DFT study is performed in this work to explore the superhalogen properties of polynuclear structures based on the ligands of -OH, -OOH and -OF. According to high-level CCSD(T) results, all the structures here are superhalogen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09c3af2834da054c4c53214cc1d67931
https://doi.org/10.1039/c7cp05037b
https://doi.org/10.1039/c7cp05037b
Autor:
Jin-Feng Li, Ru-Fang Zhao, Lan Luo, Jianli Li, Chao-Chao Li, Wen-Hua Xu, Bing Yin, Fu-Qiang Zhou
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(5)
The construction route of organic superacids from the combination of organic superhalogens and protons is verified to be a rational one based on a systematic theoretical study covering different planar conjugated backbones, e.g., [C5H5]− and [BC5H6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b25ef3efb559e36f818e2d2dc316089
https://pubmed.ncbi.nlm.nih.gov/30667421
https://pubmed.ncbi.nlm.nih.gov/30667421
Autor:
Jin-Feng, Li, Ru-Fang, Zhao, Xu-Ting, Chai, Fu-Qiang, Zhou, Chao-Chao, Li, Jian-Li, Li, Bing, Yin
Publikováno v:
The Journal of chemical physics. 149(6)
A series of 20 composite structures, consisting of superhalogen and noble gas (Ng) hydrides, was explored via high-level coupled-cluster single, double and perturbative triple excitations calculations in this work. The existence of these composites,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9583dd7cc1a830eafb9fed5059d682f4
https://pubmed.ncbi.nlm.nih.gov/30111124
https://pubmed.ncbi.nlm.nih.gov/30111124
Autor:
Yan Li, Fu Qiang Zhou
Publikováno v:
Applied Mechanics and Materials. :538-541
This paper presents novel pedestrian detection approach in video streaming, which could process frames rapidly. The method is based on cascades of HOG-LBP (Histograms of Oriented Gradients-Local Binary Pattern), but combines non-negative factorizatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b62c6ec5b2e82c06649ae042f52a2ca9
https://doi.org/10.4028/www.scientific.net/amm.738-739.538
https://doi.org/10.4028/www.scientific.net/amm.738-739.538