Xiumei Pan

发表

Computational insight into the structural properties and redox chemistry of poly (ethylene carbonate) as electrolytes for Lithium batteries

Xue Jiao, Xiumei Pan, X. Pan, 2021 .

Theoretical study of H-atom abstraction reactions from CH3CH2OCH2CH3, CHF2CF2OCH2CF3 and CF3CH2OCH3 by NO3 radical & subsequent degradation.

Xiumei Pan, Fengyang Bai, Ming-Yi Li, 2019, Journal of molecular graphics & modelling.

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

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2009 .

Theoretical Studies of the Reactions CFx H3-x COOR+Cl and CF3 COOCH3 +OH.

Xiumei Pan, Rongshun Wang, Xiarong Zhu, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical studies on the mechanisms and dynamics of OH radical with (CH3)3COOH and (CH3)2CHOOH.

Xiumei Pan, Rongshun Wang, H. Ren, 2012, The journal of physical chemistry. A.

Theoretical study on the hydrogen abstraction reaction of CH3CH2F (HFC-161) with Cl atom

Zesheng Li, Hong-Qing He, Xiumei Pan, 2008 .

Theoretical study of the hydrogen abstraction reaction of CH3OH with NCO

Xiumei Pan, Yizhen Tang, Yaru Pan, 2007 .

Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH

Zesheng Li, Hongwei Gong, Hong-Qing He, 2006 .

Theoretical study on the formation mechanisms, dynamics and the effective catalysis of the nitrophenols

Liang Zhao, Xiumei Pan, Yuanyuan Ma, 2018, ChemistrySelect.

The V-shaped polar molecules encapsulated into Cs (10528)-C72: stability and nonlinear optical response.

Z. Su, Xiumei Pan, Hong-liang Xu, 2014, Dalton transactions.

Theoretical study on the reactions of (CF3)2CFOCH3 + OH/Cl and reaction of (CF3)2CFOCHO with Cl atom.

Xiumei Pan, Rongshun Wang, Gang Sun, 2015, The journal of physical chemistry. A.

Electrochemical performance of Li3V2(PO4)3/C cathode material using a novel carbon source

Jiawei Wang, Xiumei Pan, Xuedong Yan, 2009 .

Computational Redox Chemistry of Functionalized Polycaprolactone as Electrolytes for Lithium Batteries

Xue Jiao, Xiumei Pan, Zi-run Wang, 2022, Journal of Electroanalytical Chemistry.

Theoretical study for the reaction of CH(3)CN with O((3)P).

F. Wang, Jingyu Sun, Xiumei Pan, 2010, The Journal of chemical physics.

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

Xiumei Pan, Rongshun Wang, Xiujuan Jia, 2010 .

Theoretical study and rate constant calculation for the O(3P) + C2H5CN reaction

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2008 .

Unveiling the Photophysical Properties of Boron Heptaaryldipyrromethene Derivatives.

Xiumei Pan, Guochun Yang, Chunyu Liu, 2018, Chemphyschem : a European journal of chemical physics and physical chemistry.

Understanding the photophysical properties of chiral dinuclear Re(i) complexes and the role of Re(i) in their complexes.

Xiumei Pan, Guochun Yang, Shaoqing Shi, 2016, Dalton transactions.

Theoretical Study of the Structures, Properties and Spectroscopies on Fullerene Hydrides C26Hn (n = 2, 4, 6, 8)

Xiumei Pan, Rongshun Wang, Lili Sun, 2011 .

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

Xiumei Pan, Rongshun Wang, H. Ren, 2012, Theoretical Chemistry Accounts.

Computational exploration of regioselectivity and atmospheric lifetime in NO3-initiated reactions of CH3OCH3 and CH3OCH2CH3.

Xiumei Pan, Shaoqing Shi, Jin-Ting Ye, 2017, Journal of molecular graphics & modelling.

New insights into 3M3M1B: the role of water in ˙OH-initiated degradation and aerosol formation in the presence of NOX (X = 1, 2) and an alkali.

Xiumei Pan, Fengyang Bai, Yizhen Tang, 2019, Physical chemistry chemical physics : PCCP.

Theoretical insight into the role of urea in the hydrolysis reaction of NO2 as a source of HONO and aerosols

Liang Zhao, Xiumei Pan, Fengyang Bai, 2018 .

Can nitrous acid contribute to atmospheric new particle formation from nitric acid and water?

Xiumei Pan, Fengyang Bai, S. Ni, 2020 .

Atmospheric chemistry of alkyl iodides: theoretical studies on the mechanisms and kinetics of CH3I/C2H5I + NO3 reactions

Xiumei Pan, Fengyang Bai, Xu Wang, 2015 .

Syntheses, crystal structures and fluorescent properties of two d10-metal coordination polymers based on 1,5-naphthalenedisulfonic acid

Xiumei Pan, Hui-Chao Zhao, Yuwei Kan, 2014, Journal of the Iranian Chemical Society.

Ciprofloxacin transformation in aqueous environments: Mechanism, kinetics, and toxicity assessment during •OH-mediated oxidation.

Yizhen Tang, Xiumei Pan, Fengyang Bai, 2020, The Science of the total environment.

Photophysical properties of quinoxaline-fused [7]carbohelicene derivatives

Xiumei Pan, Guochun Yang, Yanling Si, 2015 .

Computational study of H-abstraction reactions from CH3OCH2CH2Cl/CH3CH2OCH2CH2Cl by Cl atom and OH radical and fate of alkoxy radicals

Xiumei Pan, Jin-Ting Ye, Fengyang Bai, 2016, Environmental Science and Pollution Research.

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

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2009 .

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

Xiumei Pan, Hui-Chao Zhao, Yuwei Kan, 2015, Journal of the Iranian Chemical Society.

Study on the electronic structure of phenylene vinylene dimers with different substituents

Jia-cong Shen, Z. Su, Xiumei Pan, 2001 .

Interaction of Glutamic Acid/Protonated Glutamic Acid with Amide and Water Molecules: A Theoretical Study.

Xiumei Pan, Jia Liu, S. Ni, 2022, The journal of physical chemistry. A.

Theoretical investigation of the reactions of CF(3)CHFOCF(3) with the OH radical and Cl atom.

Z. Su, Jingyu Sun, Xiumei Pan, 2010, The journal of physical chemistry. A.

The encapsulated lithium effect of Li@C60Cl8 remarkably enhances the static first hyperpolarizability

Z. Su, Xiumei Pan, Hong-liang Xu, 2013 .

DFT studies on the mechanism of the reaction of C2H5S with NO2

Xiumei Pan, Rongshun Wang, Haoling Sun, 2007 .

DFT studies on the multi‐channel reaction of CH3S+NO2

Xiumei Pan, Rongshun Wang, Haoling Sun, 2007 .

Understanding photophysical properties of chiral conjugated corrals for organic photovoltaics

Xiumei Pan, Guochun Yang, Yanling Si, 2017 .

Theoretical study of the reaction of ethynyl radical with acetonitrile

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2008 .

Density functional theory study on isomerization reactions of pyridazine derivatives bearing N,N-dialkylaminoethyl group

Z. Su, Xiumei Pan, Ziyan Zhou, 2004 .

Direct dynamic study on the hydrogen abstraction reaction of H2CO with NCO

Xuri Huang, Chia-Chung Sun, Xiumei Pan, 2009 .

Atmospheric chemistry of ethers, esters, and alcohols on the lifetimes, temperature dependence, and kinetic isotope effect: an example of CF3CX2CX2CX2OX with OX reactions (X = H, D)

Xiumei Pan, Rongshun Wang, Fengyang Bai, 2016 .