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Qinggao Wang

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Articles 8
Citations 18
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Recent Articles
1.
Song C, An L, Wang Q, Zhang H, Li G
Inorg Chem . 2023 Sep; 62(38):15382-15391. PMID: 37700580
Three structurally similar gold(III) complexes with CNC tridentate ligands, [; CNC = 2,6-diphenylpyridine], [; CNC = 2,6-diphenylpyrazine], and [; CNC = 2,6-diphenyltriazine], have been investigated theoretically to rationalize the marked...
2.
Xu X, Tian W, Duan W, Pan C, Huang M, Wang Q, et al.
Front Pharmacol . 2023 Jan; 13:1014410. PMID: 36703729
Duzhong [DZ ( Oliv.)] is regarded as a traditional Chinese medicine with a history dating back more than 2000 years. This herb is considered a nourishing herb in China and...
3.
Wang C, Chang D, Gao Q, Liu C, Wang Q, Huang X, et al.
Phys Chem Chem Phys . 2020 Aug; 22(33):18655-18662. PMID: 32794544
Designing negative thermal expansion (NTE) materials with a larger NTE coefficient and a wider temperature window is a great challenge nowadays, leading to the limitation of existing NTE materials such...
4.
Feya O, Wang Q, Lepeshkin S, Baturin V, Uspenskii Y, Oganov A
Sci Rep . 2018 Aug; 8(1):11947. PMID: 30093648
Crystalline silica (SiO) is a major material used in many technologies, yet the exact surface structures of silica polymorphs are still mostly unknown. Here we perform a comprehensive study of...
5.
Dong H, Oganov A, Wang Q, Wang S, Wang Z, Zhang J, et al.
Sci Rep . 2016 Aug; 6:31288. PMID: 27498718
Boron suboxide B6O, the hardest known oxide, has an Rm crystal structure (α-B6O) that can be described as an oxygen-stuffed structure of α-boron, or, equivalently, as a cubic close packing...
6.
Wang Q, Oganov A, Feya O, Zhu Q, Ma D
Phys Chem Chem Phys . 2016 Apr; 18(29):19549-56. PMID: 27086932
In this paper, we employ state-of-the-art theoretical approaches to elucidate the structures of the (011) surface of rutile (R-)TiO2. An unexpectedly rich chemistry has been uncovered. Titanyl-TiO2 and titanyl-Ti2O3 reconstructions...
7.
Wang Q, Oganov A, Zhu Q, Zhou X
Phys Rev Lett . 2015 Jan; 113(26):266101. PMID: 25615358
Reconstructions of the (110) surface of rutile TiO2 (the dominant surface of this important mineral and catalyst) are investigated using the evolutionary approach, resolving previous controversies. Depending on thermodynamic conditions,...
8.
Yang Z, Wang Q, Wei S
Phys Chem Chem Phys . 2011 Apr; 13(20):9363-73. PMID: 21479317
The interaction of water molecules with the Cu-CeO(2)(111) catalyst (Cu/CeO(2) and Cu(0.08)Ce(0.92)O(2)) is studied systematically by using the DFT+U method. Although both molecular and dissociative adsorption states of water are...