Skip to main content

20 Result(s)

within **mei Pan Remove this filter Inorganic Chemistry Remove this filter

and

  1. No Access

    Article

    Rare earth cerium-phenanthroline binary complex as a new corrosion inhibitor for carbon steel in acidic medium

    This paper synthesizes a Ce (III) complex with 1,10-phenanthroline (phen) as the ligand, whose chemical formula is confirmed as Ce(NO3)3(phen)2, and evaluate its inhibition effects on the corrosion of P110 carbon...

    **a Liu, Yue Zhang, Xuemei Pan, Zhengbin Wang in Research on Chemical Intermediates (2023)

  2. No Access

    Article

    Acid-base Vapor Sensing Enabled by ESIPT-attributed Cd(II) Coordination Polymer with Switchable Luminescence

    Fluorescence materials based on excited state intramolecular proton transfer(ESIPT) have attracted great attention due to the unique four-level energy states. Herein, we report the assembly of a Cd-LF coordinatio...

    Pengyan Fu, Junting Mo, Sisi Sun, Shaoyun Yin… in Chemical Research in Chinese Universities (2020)

  3. No Access

    Article

    Construction of novel ternary dual Z-scheme Ag3VO4/C3N4/reduced TiO2 composite with excellent visible-light photodegradation activity

    A novel and highly efficient Ag3VO4/C3N4/reduced TiO2 microsphere composite was obtained through a hydrothermal and depositional process. The microstructure, individual components with different proportions, and ...

    Xuehua Yan, **aoxue Yuan, **ging Wang, Qiong Wang… in Journal of Materials Research (2019)

  4. No Access

    Article

    DFT/TDDFT, NPA, and AIM-based study of the molecular switching properties of photocyclization and metallochromism of the DAE complexes

    Diarylethene (DAE), the ubiquitous photochromic unit, is one of the most promising candidates for well-recognized optoelectronic applications. In this paper, the relationship between reversible photoisomerizat...

    **ting Ye, Li Wang, Hongqiang Wang, **umei Pan… in Theoretical Chemistry Accounts (2018)

  5. No Access

    Article

    Porous SiOC composites fabricated from preceramic polymers and wood powders for efficient dye adsorption and removal

    Porous SiOC composites for efficient treatment of dye wastewater were prepared using polysiloxane preceramic polymer mixed with wood biomass by pyrolysis under Ar atmosphere. The influences of the pyrolysis te...

    Jianmei Pan, Jie Ren, Yu **e, **aoshun Wei, Yi Guan… in Research on Chemical Intermediates (2017)

  6. No Access

    Article

    A facile and economic method for the synthesis of (S)-N-Boc-3′-hydroxyadamantylglycine

    (S)-N-Boc-3′-hydroxyadamantylglycine (I) is an important intermediate of saxagliptin for type 2 diabetes mellitus (T2DM). It was prepared from 1-adamantanecarboxylic acid(1) via mild reaction with sulfuric acid/n...

    Jie Li, Xue Jiang, Run Gan, Ming Zhang, **nmei Pan… in Research on Chemical Intermediates (2016)

  7. No Access

    Article

    Two Cobalt(II) Supramolecular architectures based on 1,5-naphthalenedisulfonate: Syntheses, Structures and Photoluminescence

    Two new supramolecular architectures, [Co(dafo)2(H2O)2]·1,5-nds 1 and [Co(phen)2(H2O)(1,5-nds)] 2 (1,5-nds = 1,5-naphthalenedisulfonate; dafo = 4,5-diazafluoren-9-one; phen = 1,10-phenanthroline), were synthesize...

    Cao Li, Hui-Chao Zhao, Yu-Lan Zhu, Yu-He Kan… in Journal of the Iranian Chemical Society (2015)

  8. No Access

    Article

    Syntheses, crystal structures and fluorescent properties of two d 10-metal coordination polymers based on 1,5-naphthalenedisulfonic acid

    The first examples of two d 10 metal coordination polymers based on 1,5-naphthalenedisulfonic acid and benzimidazole, namely, [Cd(bim)4(1,5-nds)] 1 and [Ag(bim)2]·½1,5-nds 2 (bim = benzimidazole, ...

    Hui-Chao Zhao, Kui-Rong Ma, Yu-Lan Zhu… in Journal of the Iranian Chemical Society (2014)

  9. No Access

    Article

    Theoretical investigations on electronic structures and photophysical properties of N-heteroaryl carbazole derivatives as host materials

    The carbazole-endcapped host molecules with tailoring different heteroaryl core and meta-position linkage mode have great potential on phosphorescent organic light-emitting diodes. To provide a profound view o...

    Ling-Ling Zhang, He Ren, Yan Zhang, Rong-Shun Wang… in Theoretical Chemistry Accounts (2012)

  10. No Access

    Article

    Mechanistic and kinetic study the reaction of O(3P) + CH3CFCH2

    The triplet potential energy surface of the O(3P) + CH3CFCH2 reaction has been investigated at the BMC-CCSD//MP2/6-311++G(d,p) level. Multichannel RRKM theory and transition state theory are employed to calculate...

    Yunju Zhang, **gyu Sun, Kai Chao, Hao Sun, Fang Wang… in Theoretical Chemistry Accounts (2012)

  11. No Access

    Article

    Microscopic binding of butyrylcholinesterase with quinazolinimine derivatives and the structure–activity correlation

    Butyrylcholinesterase (BChE) is not only an important protein for development of anti-cocaine medication but also an established drug target to develop new treatment for Alzheimer’s disease (AD). The molecular...

    Mohamed Diwan M. AbdulHameed, Junjun Liu, Yongmei Pan… in Theoretical Chemistry Accounts (2011)

  12. No Access

    Article

    Theoretical Study of the Structures, Properties and Spectroscopies on Fullerene Hydrides C26H n (n = 2, 4, 6, 8)

    The structures, stability patterns of C26H n (n = 2) formed from the initial D 3h C26 fullerene were investigated by u...

    Bo Hong, Ying-Fei Chang, Li-Li Sun, **u-Mei Pan… in Journal of Cluster Science (2011)

  13. No Access

    Article

    Theoretical study on the radical–radical reaction mechanism of CH2I + NO2

    The mechanisms of CH2I with NO2 reaction were investigated on the singlet and triplet potential energy surfaces (PESs) by the UB3LYP method. The energetic information is further refined at the UCCSD(T) and UQCISD...

    **u-Juan Jia, You-Jun Liu, **g-Yu Sun, Hao Sun… in Theoretical Chemistry Accounts (2010)

  14. No Access

    Article

    Theoretical study on the singlet and triplet potential energy surfaces of NH (X3Σ−) + HCNO reaction

    Both the singlet and triplet potential energy surfaces (PESs) of the NH (X3Σ−) + HCNO reaction have been investigated at the BMC-CCSD level based on the UB3LYP/6-311++G(d, p) structures. The results show that the...

    Yang Gao, **u-Juan Jia, Sha Li, Yan-Bo Yu, Rong-Shun Wang… in Theoretical Chemistry Accounts (2010)

  15. No Access

    Article

    Theoretical study on the structures, isomerization and stability of SiC4 isomers

    The structures, energetics, dipole moments, vibrational spectra, rotational constants, and isomerization of singlet SiC4 isomers were explored using ab initio methods. Five types of isomers, a total of 11 minima,...

    Hao Sun, Hongwei Gong, Huiling Liu, Fang Wang, **umei Pan… in Theoretical Chemistry Accounts (2010)

  16. No Access

    Article

    Mechanistic and dual-level direct dynamics studies on the reaction Cl + CH2FCl

    Theoretical investigations are carried out on the reaction Cl + CH2FCl by means of direct dynamics method. The minimum energy path (MEP) is obtained at the MP2/6-311G(d, p) level. The energetic information is fur...

    **u-Juan Jia, You-Jun Liu, **g-Yu Sun, Yi-Zhen Tang… in Theoretical Chemistry Accounts (2009)

  17. No Access

    Article

    Theoretical mechanistic study on the radical-molecule reaction of CH2Br/CHBrCl with NO2

    The radical-molecule reaction mechanisms of CH2Br and CHBrCl with NO2 have been explored theoretically at the UB3LYP/6-311G(d, p) level. The single-point energies were calculated using UCCSD(T) and UQCISD(T) meth...

    **u-Juan Jia, **u-Mei Pan, **g-Yu Sun, Yi-Zhen Tang… in Theoretical Chemistry Accounts (2009)

  18. No Access

    Article

    Theoretical study of the reaction of ethynyl radical with acetonitrile

    A detailed computational study has been performed on the mechanism and kinetics of the C2H + CH3CN reaction. The geometries were optimized at the BHandHLYP/6–311G(d, p) level. The single-point energies were calcu...

    **g-Yu Sun, Yi-Zhen Tang, Hao Sun, **u-Juan Jia… in Theoretical Chemistry Accounts (2008)

  19. No Access

    Article

    Theoretical study on the structures, isomerization and stability of SiC3H isomers

    The calculations of the geometry optimizations, energies, dipole moments, vibrational spectra, rotational constants, and isomerization of doublet SiC3H species were performed using density functional theory and a...

    Hao Sun, Nannan Tan, Hongqing He, **umei Pan, Zhongmin Su… in Theoretical Chemistry Accounts (2008)

  20. No Access

    Article

    LixCn as Anode Material for Lithium Ion Batteries

    We design a way that the anode hosts provide lithium ion in lithium ion battery operation. If the limiting factors of the cathode materials are less, there will be more alternatives for it. It was proven to be...

    Haiming **e, Haiying Yu, F. Jalbout Abraham, Guiling Yang… in MRS Online Proceedings Library (2007)