Výsledky vyhledávání

Akademický článek

Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

Autor: Tao Chen, Qianrui Liu, Yu Liu, Liang Sun, Mohan Chen

Publikováno v: Matter and Radiation at Extremes, Vol 9, Iss 1, Pp 015604-015604-14 (2024)

In traditional finite-temperature Kohn–Sham density functional theory (KSDFT), the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures. H

Externí odkaz: https://doaj.org/article/b4a866b999874462ad356b10e2e40ee7

Zobrazit plný text záznamu

Akademický článek

CuBr2/EDTA-mediated ATRP for ultrasensitive fluorescence detection of lung cancer DNA

Autor: Jingyu Zhang, Yanyan Ba, Qianrui Liu, Liying Zhao, Dazhong Wang, Huaixia Yang, Jinming Kong

Publikováno v: Journal of Advanced Research, Vol 22, Iss , Pp 77-84 (2020)

In this paper, we reported a system for the ultrasensitive fluorescence detection of cytokeratin fragment antigen 21–1 DNA (CYFRA21-1 DNA) for the early diagnosis of lung cancer. The approach used electron transfer atom transfer radical polymerizat

Externí odkaz: https://doaj.org/article/3c911760fbaf4b478fb1263f6fb255cc

Zobrazit plný text záznamu

Akademický článek

Thermal transport by electrons and ions in warm dense aluminum: A combined density functional theory and deep potential study

Autor: Qianrui Liu, Junyi Li, Mohan Chen

Publikováno v: Matter and Radiation at Extremes, Vol 6, Iss 2, Pp 026902-026902-11 (2021)

We propose an efficient scheme that combines density functional theory (DFT) with deep potentials (DPs), to systematically study convergence issues in the computation of the electronic thermal conductivity of warm dense aluminum (2.7 g/cm3 and temper

Externí odkaz: https://doaj.org/article/0d2808a35bfb43d5870c9410c792db7e

Zobrazit plný text záznamu

Akademický článek

Analysis of Flavonoid Metabolites in Chaenomeles Petals Using UPLC-ESI-MS/MS

Autor: Ting Shen, Fengting Hu, Qianrui Liu, Haiyan Wang, Houhua Li

Publikováno v: Molecules, Vol 25, Iss 17, p 3994 (2020)

Chaenomeles species are used for both ornamental decoration and medicinal purposes. In order to have a better understanding of the flavonoid profile of Chaenomeles, the petals of four Chaenomeles species, including Chaenomeles japonica (RB), Chaenome

Externí odkaz: https://doaj.org/article/54b4273ac7eb4d568f400290b43fa5db

Zobrazit plný text záznamu

Akademický článek

TEMPO-Functionalized Nanoporous Au Nanocomposite for the Electrochemical Detection of H2O2

Autor: Dongxiao Wen, Qianrui Liu, Ying Cui, Huaixia Yang, Jinming Kong

Publikováno v: International Journal of Analytical Chemistry, Vol 2018 (2018)

A novel nanocomposite of nanoporous gold nanoparticles (np-AuNPs) functionalized with 2,2,6,6-tetramethyl-1-piperidinyloxy radical (TEMPO) was prepared; assembled carboxyl groups on gold nanoporous nanoparticles surface were combined with TEMPO by th

Externí odkaz: https://doaj.org/article/7f429ed09cb84b35b968f76a5b15b3e7

Zobrazit plný text záznamu

Plný text ve formátu HTML

Vyhledávací nástroje:

Upřesnit hledání