Zobrazeno 1 - 10
of 46
pro vyhledávání: '"Zikuan Wang"'
Autor:
Hongsen Li, Boao Han, Rongyi Wang, Wentao Li, Wentao Zhang, Xuefeng Fu, Huayi Fang, Fuqiu Ma, Zikuan Wang, Jiajing Zhang
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Unimolecular reduction and bimolecular reductive coupling of carbon monoxide (CO) represent important ways to synthesize organic feedstocks. Reductive activation of CO through open-shell pathways, though rare, can help overcome the barriers
Externí odkaz:
https://doaj.org/article/d3db1c2c0ab949de9a3946eaaade377c
Publikováno v:
Molecules, Vol 29, Iss 10, p 2377 (2024)
The photocatalyst (PC) zinc tetraphenylporphyrin (ZnTPP) is highly efficient for photoinduced electron/energy transfer reversible addition-fragmentation chain transfer (PET-RAFT) polymerization. However, ZnTPP suffers from poor absorbance of orange l
Externí odkaz:
https://doaj.org/article/0fd77be098244bd5aa76013a3bcf3372
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
Open-shell molecules rarely fluoresce, due to their typically faster non-radiative relaxation rates compared to closed-shell ones. Even rarer is the fluorescence from states that have two more unpaired electrons than the open-shell ground state, sinc
Externí odkaz:
https://doaj.org/article/0a57f1b9445b4db8a05996f34831d503
Autor:
Jing Liu, Mingming Zhang, Chaoshi Qin, Zikuan Wang, Jianghong Chen, Rui Wang, Jianqiang Hu, Qing Zou, Xiaolin Niu
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2022)
Myocardial infarction (MI) is a coronary artery-related disease and ranks as the leading cause of sudden death globally. Resveratrol (Res) is a bioactive component and has presented antioxidant, anti-inflammatory and anti-microbial properties. Howeve
Externí odkaz:
https://doaj.org/article/f9ac37cf35e8492598c334840de1c3c1
Publikováno v:
Environment International, Vol 142, Iss , Pp 105822- (2020)
Neonicotinoid insecticide (NEO) concentrations in ambient fine particulate matter (PM2.5) and daily exposure via inhalation were investigated during spring and fall in an urban area in Beijing and in urban and rural areas of Zhengzhou, Henan Province
Externí odkaz:
https://doaj.org/article/1841b17b77b9496eaa4d82304f5d39c4
Autor:
Tianyu Zheng, Nöthling, Nils, Zikuan Wang, Mitschke, Benjamin, Leutzsch, Markus, List, Benjamin
Publikováno v:
Science; 8/16/2024, Vol. 385 Issue 6710, p765-770, 6p, 4 Diagrams
Publikováno v:
ACS Catalysis. 13:5808-5818
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7656194fd6d73688c2af75f8a13d91dc
https://doi.org/10.1021/acscatal.3c00174
https://doi.org/10.1021/acscatal.3c00174
Autor:
Zikuan Wang, Frank Neese
Publikováno v:
The Journal of Chemical Physics. 158
In this work, we develop a new semiempirical method, dubbed NOTCH (Natural Orbital Tied Constructed Hamiltonian). Compared to existing semiempirical methods, NOTCH is less empirical in its functional form as well as parameterization. Specifically, in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4fd40ff5924366e3336cf9131f233715
https://doi.org/10.1063/5.0141686
https://doi.org/10.1063/5.0141686
Reductive dehalogenases (RDases) are key enzymes involved in the degradation of organohalide compounds. Despite extensive experi-mental and computational studies, the catalytic mechanism of RDases remains unclear. We show here that the proximal [4Fe-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae07942f400e64c8b04a0b8df11e14ab
https://doi.org/10.26434/chemrxiv-2022-2fhkp
https://doi.org/10.26434/chemrxiv-2022-2fhkp
Publikováno v:
The Journal of Physical Chemistry Letters. 12:7409-7417
Delta self-consistent-field methods are widely used in studies of electronically excited states. However, the nonaufbau determinants are generally spin-contaminated. Here, we describe a general approach for spin-coupling interactions of open-shell mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::020635314424f72f994758ff40b1a4e8
https://doi.org/10.1021/acs.jpclett.1c02039
https://doi.org/10.1021/acs.jpclett.1c02039