研究领域
Professor Xia’s Current research interests include the QM study of mechanisms of organometallic reactions, QM/MM simulations of protein functions and development of coarse-grained models for large biological systems.
(一)化学机理研究:均相碳氢键与二氧化碳活化机理;
(二)蛋白质结构与功能的理论模拟;
(三)蛋白质粒化模型的发展及运用;
近期论文
查看导师新发文章
(温馨提示:请注意重名现象,建议点开原文通过作者单位确认)
Ji, L. Z.†; Luo, Z. J.†; Zhang, Y.; Wang, R.; Ji, Y.; Xia, F.*; Gao, G. H.* 2017, in prep.
Imidaolium ionic liquids/organic bases: effiicent intermolecular synergistic catalysts.
Luo, Z. J.; Lin, T. Y.; Huang, M. M.; Chen, J.; Feng, J. J.*; Xia, F.* 2017, in submission.
Reaction mechanisms of Rh-catalyzed divergent intermolecular cycloadddition of vinylaziridines and alkyne.
Zhang, Y. W.; Cao, Z. X.; Xia, F.* 2017, in submission.
Construction of ultra-coarse-grained model of protein with a Gō-like potential.
Zhang, C.; Zhang, S.; Yan, Y.; Xia, F.; Xian, Z. Y.* ACS Appl. Mater. Interfaces 2017, 9, 13415.
Highly fluorescent 2D polyimide covalent organic nanosheets as sensing probes for the detection of trinitrophenol.
Liu, S.; Jiang, J.; Chen, J.; Wei, Q.; Yao, W.; Xia, F.*; Hu, W. H.* Chem. Sci. 2017, accepted.
A DFT computation-inspiring discovery of multi-component reaction of alkydiazoacetates by Rhodium(I) complex.
Zhou, J.; Lv, S.; Zhang, D.; Xia, F.*; Hu, W. H.* J. Org. Chem. 2017, 82, 2599.
Deactivating influcence of 3-olycosyl substituent on anomeric reactivity of thiomannoside observed in oigomannoside synthesis.
Zhang, Y. W.; Cao, Z. X.; Zhang, J. Z. H.; Xia, F.* J. Chem. Inf. Model. 2017, 57, 214.
Performance comparions of systematic methods for rigrous definition of coarse-grained sites of biomolecules.
Liu, S.; Yao, W.; Liu, Y.; Wei, Q.; Chen, J.; Wu, X.; Xia, F.*; Hu, W. H.* Sci. Adv. 2017, 3, e1602467.
A Rh(II)-catalyzed multicomponent reaction by trapping an amino enol intermediate in a traditional two component reaction pathway.
Luo, Z. J.; Wang, B.; Liu, Y.; Gao, G.*; Xia, F.* Phys. Chem. Chem. Phys. 2016, 18, 27951.
Reaction mechanisms of carbon dioxide, ethylene oxide adn amines catalyzed by ionic liquids BmimBr and BmimOAc: A DFT study.
Liu, Y.; Luo, Z. J.; Zhang, J. Z. H.; Xia, F.* J. Phys. Chem. A 2016, 120, 6485.
DFT calculations on the mechanism of transtion metal catalyzed reaction of diazo compounds wtih phenols.
Li, M.; Zhang, J. Z. H.; Xia, F.* J. Chem. Theory Comput. 2016, 12, 2091.
Constructing optimal coarse-grained sites of huge biomolecules by fluctuation maximization.
Liu, Y.; Yu, Z.; Zhang, J. Z. H.; Liu, L.*; Xia, F.* J. Phys. Chem. A 2016, 120, 1925.
Theoretical investigation of mechanisms of C(sp2)-H and C(sp3)-H bond insertion by gold carbenes.
Wang, B.; Luo, Z. J.; Elageed, E.; Wu, S.; Xia, F.*; Gao, G.* et al. ChemCatChem 2016, 8, 830.
DBU and DBU-derived ionic liquid synergistic catalysis for conversion of CO2/CS2 to 3-aryl-2-oxazolidinones.
Liu, Y; Yu, Z.; Zhang, J. Z. H.; Liu, L.*; Xia, F.*; Zhang, J. L.* Chem. Sci. 2016, 7, 1988.
Origins of unique gold-catalyzed chemo- and site-selective C-H functionalization of phenols with diazo compounds.
Li, M.; Zhang, J. Z. H.; Xia, F.* J. Comput. Chem. 2016, 37, 795.
A new algorithm for construction of coarse-grained sites of large biomolecules.
Tang, M.; Wu, Y.; Liu, Y.; Cai, M.; Xia, F.; Liu, S.*; Hu, W.* Acta Chim. Sinica 2016, 74, 54.
One-pot enantioselective multi-component cascade reactions for synthesis of chiral functionalized hydroepoxyisochromenses.
Li, Y,; Zhang, M.*; Lu, L.; Zhu, A.; Xia, F.; Shi, G.* Analyst 2015, 140, 6108.
Ratiometric fluorescent detection of Ag using hybrid supraparticles assembling from Ag, I and thioflavin T.
Wang, Y.; Zhang, P.; Liu, Y.; Xia, F.*; Zhang, J. L.* Chem. Sci. 2015, 6, 5564.
Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-strylindoles with N-allenamides.
Xu, L.; Huang, D. D.; Xia, F.*; Li, X.; Fan, F.*; Li, C.; Wu, P.* et al. Chem. Commun. 2015, 51, 9010.
Construction of unique six-coordinated titanium species with an organic amime ligand in titanosilicate and their unprecedented high efficiency for alkene epoxidation.
Zhang, D.; Zhou, J.; Xia, F.; Kang, Z.; Hu, W. H.* Nat. Commun. 2015, 6, 5801.
Bond cleavage, fragment modification and reassembly in enantisselective three component reactions.
Li, M.; Zhang, J. Z. H.; Xia, F.* Chem. Phys. Lett. 2015, 618, 102.
Heterogenous elastic network model improves description of slow motions of proteins in solution.