X. Pan

发表

Theoretical study on the mechanism for the reaction of pentafulvenone with HNC in singlet and triplet states, interconversions and solvation effect

Z. Su, Rongshun Wang, Haoling Sun, 2008 .

Theoretical studies on the reaction of pentafulvenone with water in gas phase and aqueous solvent

Chia-Chung Sun, Xiujuan Jia, You-Jun Liu, 2007 .

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.

Effective Impact of Dielectric Constant on Thermally Activated Delayed Fluorescence and Nonlinear Optical Properties: Through-Bond/-Space Charge Transfer Architectures

Haiming Xie, Li Wang, Y. Qiu, 2018, The Journal of Physical Chemistry C.

Understanding photophysical properties of chiral conjugated corrals for organic photovoltaics

Xiumei Pan, Guochun Yang, Yanling Si, 2017 .

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

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

Theoretical study of the global potential energy surface of the [CH3,N,C,S] system in singlet and triplet states

Zesheng Li, Rongshun Wang, Z. Fu, 2006 .

Chiral macrocyclic imine nickel(II) coordination complexes with diverse photophysical properties

Guochun Yang, Yanling Si, Chunyu Liu, 2017 .

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.

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

Haiming Xie, Li Wang, Y. Qiu, 2018, Theoretical Chemistry Accounts.

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.

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 MECHANISTIC STUDY ON THE RADICAL-NEUTRAL REACTION OF CH(X2Π) WITH CH2CO

Rongshun Wang, Haoling Sun, Sha Li, 2010 .

DFT study on the mechanisms of the CH2CO+NCX (X=O, S) reactions

Zesheng Li, Rongshun Wang, Haoling Sun, 2005 .

DFT investigation of the mechanism of CH2CO + O(3P) reaction

Zesheng Li, Rongshun Wang, Haoling Sun, 2005 .

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

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

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

Xiumei Pan, Rongshun Wang, Xiujuan Jia, 2010 .

Theoretical investigation on atmospheric reaction mechanism, kinetics and SAR estimations of four-carbon ketones and alcohols

Fengyang Bai, S. Ni, X. Pan, 2021, Atmospheric Environment.

THEORETICAL STUDIES ON THE FORMATION MECHANISM AND STRUCTURE OF PENTAFULVENONE AND AZAFULVENONE

Z. Su, Rongshun Wang, Haoling Sun, 2008 .

Theoretical study on the reaction of CH3CHCl + NO2

Rongshun Wang, Jingyi Wang, H. Ren, 2011 .

Theoretical study of the reaction of ethynyl radical with acetonitrile

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2008 .

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

Xiumei Pan, Rongshun Wang, Haoling Sun, 2007 .

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

Jingping Zhang, F. Wang, Jingyu Sun, 2012, Theoretical Chemistry Accounts.

Synergistic effect of glutaric acid and ammonia/amine/amide on their hydrates in the clustering: A theoretical study.

Fengyang Bai, S. Ni, X. Pan, 2021, Chemosphere.

Aliovalent-Ion-Induced Lattice Regulation Based on Charge Balance Theory: Advanced Fluorophosphate Cathode for Sodium-Ion Full Batteries.

Xing-long Wu, Xiao‐Tong Wang, Zhenyi Gu, 2021, Small.

High-rate characteristics of novel anode Li4Ti5O12/polyacene materials for Li-ion secondary batteries

X. Pan, A. Jalbout, Xuedong Yan, 2008 .

“Polymer-in-ceramic” based poly(Ɛ-caprolactone)/ceramic composite electrolyte for all-solid-state batteries

A. Mauger, C. Julien, Yulong Liu, 2021, Journal of Energy Chemistry.

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

Jiawei Wang, Xiumei Pan, Xuedong Yan, 2009 .

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

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

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 investigation of the mechanisms and dynamics of the reaction CHF2OCF2CHFCl+Cl

Rongshun Wang, Fengyang Bai, Zi‐man Jia, 2014, Journal of Molecular Modeling.

Understanding the insight into the mechanisms and dynamics of the Cl-initiated oxidation of (CH3)3CC(O)X and the subsequent reactions in the presence of NO and O2 (X = F, Cl, and Br).

Fengyang Bai, Shuang Lv, X. Pan, 2017, Chemosphere.

Theoretical study on the electronic structures and optical properties of oxadisilole-substituted acenes

X. Pan, Z. Su, Rongshun Wang, 2008 .

Dendrite-free lithium metal solid battery with a novel polyester based triblock copolymer solid-state electrolyte

X. Sun, Xue Jiao, Yulong Liu, 2020 .

Synthesis and interface stability of polystyrene-poly(ethylene glycol)-polystyrene triblock copolymer as solid-state electrolyte for lithium-metal batteries

A. Mauger, C. Julien, Haiming Xie, 2019, Journal of Power Sources.

Atmospheric chemistry of thiourea: nucleation with urea and roles in NO2 hydrolysis.

Fengyang Bai, S. Ni, X. Pan, 2020, Physical chemistry chemical physics : PCCP.

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 study of the hydrolysis of HOSO + NO2 as a source of atmospheric HONO: effects of H2O or NH3

Fengyang Bai, Xu Wang, Yan-qiu Sun, 2017 .

Atmospheric chemistry of CF3(CX2)2CH2OH: rate coefficients and temperature dependence of reactions with chlorine atoms and the subsequent pathways of alkyl and alkoxy radicals (X = H, F)

Fengyang Bai, Xu Wang, Yan-qiu Sun, 2016 .

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

Hong-Qing He, Z. Su, Rongshun Wang, 2008 .

Kinetics and mechanism of OH-mediated degradation of three pentanols in the atmosphere

Fengyang Bai, Yizhen Tang, S. Ni, 2021, New Journal of Chemistry.

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 study on the mechanisms of the decomposition of nitrate esters and the stabilization of aromatic amines

S. Ni, X. Pan, Yang Sun, 2019, Journal of Molecular Modeling.

Computational Redox Chemistry of Functionalized Polycaprolactone as Electrolytes for Lithium Batteries

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

Metal-free catalysis for the reaction of nitrogen dioxide dimer with phenol: An unexpected favorable source of nitrate and aerosol precursors in vehicle exhaust.

Fengyang Bai, Zhou Yu, S. Ni, 2021, Chemosphere.

Atmospheric oxidation of fluoroalcohols initiated by ˙OH radicals in the presence of water and mineral dusts: mechanism, kinetics, and risk assessment.

Lian Kong, Fengyang Bai, S. Ni, 2021, Physical chemistry chemical physics : PCCP.

Atmospheric chemistry of CF3CHFCF2OCH2CF2CF3: Kinetics and mechanism on the OH-initiated degradation and subsequent reactions in the presence of O2 and NO

Chi Ma, Fengyang Bai, Zhou Yu, 2021, Chemical Physics Letters.

Mechanism, kinetics, and environmental assessment of OH‐initiated transformation of CTDE in the atmosphere

Wei Zhang, Fengyang Bai, X. Pan, 2020 .

Theoretical investigation of the mechanism, kinetics and subsequent degradation products of the NO3 radical initiated oxidation of 4-hydroxy-3-hexanone.

Ning Zhang, Fengyang Bai, X. Pan, 2019, Environmental science. Processes & impacts.

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.

DFT analysis on the removal of dimethylbenzoquinones in atmosphere and water environments: ·OH-initiated oxidation and captured by (TiO2)n clusters (n=1-6).

Fengyang Bai, Yizhen Tang, S. Ni, 2019, Journal of hazardous materials.

Atmospheric fate of methyl pivalate: OH/Cl-initiated degradation and the roles of water and formic acid

Jin-Ting Ye, Fengyang Bai, X. Pan, 2018 .

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.

Theoretical insight into OH- and Cl-initiated oxidation of CF3OCH(CF3)2 and CF3OCF2CF2H & fate of CF3OC(X•)(CF3)2 and CF3OCF2CF2X• radicals (X=O, O2)

Fengyang Bai, Shuang Lv, X. Pan, 2017, Scientific Reports.

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 .

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

Xiumei Pan, Fengyang Bai, Xu Wang, 2015 .

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 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.

Mechanism and kinetic study of 3-fluoropropene with hydroxyl radical reaction.

Jingping Zhang, Z. Su, Yunju Zhang, 2014, Journal of molecular graphics & modelling.

Theoretical study on the gas phase reaction of allyl chloride with hydroxyl radical.

Jingping Zhang, Z. Su, Jingyu Sun, 2014, The Journal of chemical physics.

Theoretical study on the gas phase reaction of allyl alcohol with hydroxyl radical.

Jingping Zhang, Z. Su, Jingyu Sun, 2013, The journal of physical chemistry. A.

Mechanistic and kinetic study of CF3CH═CH2 + OH reaction.

Jingping Zhang, F. Wang, Jingyu Sun, 2012, The journal of physical chemistry. A.

Theoretical study on the mechanism for the reaction of F with CH2CHCH2Cl

Jingping Zhang, Fang Wang, Jingyu Sun, 2012 .

Theoretical study on the mechanism for the reaction of OH with CH2CHCH(OH)CH3

Jingping Zhang, Fang Wang, Jingyu Sun, 2011 .

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

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

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

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2009 .

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

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

Theoretical study of 2-phenylbenzoxazole derivatives and derived phenolic Schiff compounds in gas and solution phases: Electronic structures and optical properties

Rongshun Wang, Li-li Liu, Yan Zhang, 2010 .

Theoretical studies on the structures and absorption spectra of–C n R2n+1(R = H, F; n = 1, 2) substituted 5-(2-pyridyl) pyrazolate boron complexes

Z. Su, Rongshun Wang, Li-li Liu, 2009 .

Photophysical properties of quinoxaline-fused [7]carbohelicene derivatives

Xiumei Pan, Guochun Yang, Yanling Si, 2015 .

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.

Mechanistic and kinetic study of CH2O+O3 reaction.

F. Wang, Z. Su, Jingyu Sun, 2010, The journal of physical chemistry. A.

Theoretical Study of the Gaseous Hydrolysis of NO2 in the Presence of Amines.

F. Tao, Xu Wang, Yan-qiu Sun, 2016, The journal of physical chemistry. A.

Theoretical investigation on the reaction mechanism of CF3OCHF2 + O(1D)

Rongshun Wang, Jie Luo, Yang Gao, 2011 .

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

Xiumei Pan, Rongshun Wang, Haoling Sun, 2007 .

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 .

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

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

Efficient enhancement of second order nonlinear optical response by complexing metal cations in conjugated 7-substituted coumarin

Haiming Xie, Li Wang, Y. Qiu, 2017 .

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.

A cation-selective and anion-controlled benzothiazolyl-attached macrocycle for NLO-based cation detection: variational first hyperpolarizabilities

Haiming Xie, Li Wang, Y. Qiu, 2018 .

Theoretical study of the gaseous hydrolysis of NO2 in the presence of NH3 as a source of atmospheric HONO

Rongshun Wang, F. Tao, Fengyang Bai, 2016 .

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

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

Preparation and performance of polyvinyl alcohol-based activated carbon as electrode material in both aqueous and organic electrolytes

Rongshun Wang, Fang Wang, H. Ren, 2012, Journal of Solid State Electrochemistry.

Mechanistic and kinetic study of the OH + C2H5CN reaction

Jingyu Sun, Rongshun Wang, Haoling Sun, 2008 .

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.

Insights into the degradation of (CF3)2CHOCH3 and its oxidative product (CF3)2CHOCHO & the formation and catalytic degradation of organic nitrates

Fengyang Bai, Zi‐man Jia, X. Pan, 2018, Atmospheric Environment.

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 kinetics of OH radical reactions with CH3OOH and CH3CH2OOH

Yang Gao, Jie Luo, Rongshun Wang, 2011, J. Comput. Chem..

Mechanistic and kinetic investigations of N2H4 + OH reaction

Jingyu Sun, Hao Sun, Xiujuan Jia, 2009, J. Comput. Chem..

Direct Ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom.

Zesheng Li, Hong-Qing He, Rongshun Wang, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

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.

LiFePO4 as an optimum power cell material

A. Jalbout, Haiming Xie, Rongshun Wang, 2009 .

Synergetic Control of Li+ Transport Ability and Solid Electrolyte Interphase by Boron‐Rich Hexagonal Skeleton Structured All‐Solid‐State Polymer Electrolyte

Huiyu Song, Haiming Xie, S. Chen, 2023, ENERGY & ENVIRONMENTAL MATERIALS.

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

Xiumei Pan, Rongshun Wang, Lili Sun, 2011 .

Long-term cyclability and high-rate capability of Li3V2(PO4)3/C cathode material using PVA as carbon source

Jiawei Wang, Guiling Yang, Jing Liu, 2010 .

An effective and simple way to synthesize LiFePO4/C composite

Rongshun Wang, Xuedong Yan, Jing Liu, 2009 .

Porous carbon with tailored pore size for electric double layer capacitors application

Fang Wang, Shanshan Tong, Hao Chen, 2012 .

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 .

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

Jingyu Sun, Xiumei Pan, Rongshun Wang, 2008 .

Direct Ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom.

Zesheng Li, Hong-Qing He, Rongshun Wang, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Computational study of oxygen atom ((3)P and (1)D) reactions with CF(3)CN.

Jingping Zhang, Jingyu Sun, Yizhen Tang, 2010, Physical chemistry chemical physics : PCCP.

Theoretical and kinetic study of the H + C2H5CN reaction

Jingyu Sun, Rongshun Wang, Haoling Sun, 2009, J. Comput. Chem..

Theoretical study of the gaseous hydrolysis of NO2 in the presence of NH3 as a source of atmospheric HONO

Rongshun Wang, F. Tao, Fengyang Bai, 2016 .

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

Guochun Yang, Shaoqing Shi, Yanling Si, 2016, Dalton transactions.