Li Wang

发表

Theoretical study and rate constants calculation of hydrogen abstraction reactions CF3CHCl2 + F and CF3CHClF + F

Li Wang, Yuanyuan Zhao, Zhiqiang Wang, 2010 .

Recent research progress for upconversion assisted dye-sensitized solar cells

H. Ågren, Xugeng Guo, Li Wang, 2020 .

Synergistic cooperation of bi-active hydrogen atoms in protic carboxyl imidazolium ionic liquids to push cycloaddition of CO2 under benign conditions

Li Wang, Jinglai Zhang, Tengfei Wang, 2019 .

Insight on asym-Pyrazolium Ionic Liquids for Chemical Fixation of CO2 and Propylene Epoxide into Propylene Carbonate without Organic Solvent and Metal

Yue Zhang, Li Wang, Jinglai Zhang, 2018, Industrial & Engineering Chemistry Research.

Dialkylpyrazolium ionic liquids as novel catalyst for efficient fixation of CO2 with metal- and solvent-free

Li Wang, Jinglai Zhang, Ci Chen, 2017 .

The mechanism and dynamic studies for the reactions of OH radical with CH3−nFnOCF2CHFCl (n = 0, 1, and 2)

Hong-Qing He, Li Wang, Jinglai Zhang, 2014 .

Direct dynamics study of the hydrogen abstraction reaction of CF3CH2Cl+Cl -> CF3CHCl+HCl

Hong-Qing He, Li Wang, Yuanyuan Zhao, 2012 .

Dual-level direct dynamics studies on the hydrogen abstraction reactions of fluorine atoms with CF3CH2X(X=F, Cl)

Jing Zhang, Li Wang, Yuanyuan Zhao, 2011 .

Hydrogen abstraction reactions of OH radicals with CF2ClCClXH (X = F, Cl) and CFCl2CClXH (X = F, Cl): a mechanistic and kinetic study

Li Wang, Yuanyuan Zhao, Jinglai Zhang, 2011 .

Direct dynamics studies for the reactions of CF3CHFCF3 and CF3CF2CHF2 with H atoms

Li Wang, Yuanyuan Zhao, Jinglai Zhang, 2011 .

A dual-level direct dynamics study on the hydrogen-abstraction reactions of C2Hn+2Cl3-n + HBr with n = 1,2

Zesheng Li, Chia-Chung Sun, Hong-Qing He, 2008 .

Theoretical perspective of FIrpic derivatives: relationship between structures and photophysical properties.

Li Wang, Jinglai Zhang, Xin Wang, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

ROP-GEF signal transduction is involved in AtCAP1-regulated root hair growth

L. Bai, Li Wang, Chunpeng Song, 2018, Plant Growth Regulation.

Photoinduced excited state intramolecular proton transfer of 2-(2′-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study

Hong-Qing He, Yanxin Zhang, Li Wang, 2014 .

Influence of different ancillary ligand on the phosphorescent properties of platinum(II) complexes.

Li Wang, Xinrui Zhu, Tiegang Ren, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Comprehension of the Effect of a Hydroxyl Group in Ancillary Ligand on Phosphorescent Property for Heteroleptic Ir(III) Complexes: A Computational Study Using Quantitative Prediction.

Y. Wen, Li Wang, Jinglai Zhang, 2017, Inorganic chemistry.

Theoretical insights into the phosphorescent process of a series of 2-(2-trifluoromethyl) pyrimidine-pyridine based heteroleptic iridium(III) compounds: The influence of the ancillary ligand

Li Wang, Jinglai Zhang, Xin Wang, 2017 .

Insight into the Phosphorescent Process of Cyclometalated Ir(III) Complexes: Combination of the Substituents on Primary and Ancillary Ligands Controls the Emission Rule and Quantum Yield

Yue Zhang, Li Wang, Jinglai Zhang, 2016 .

Hydrogen peroxide plays an important role in PERK4-mediated abscisic acid-regulated root growth in Arabidopsis.

L. Bai, Li Wang, Chunpeng Song, 2019, Functional plant biology : FPB.

Lipoxygenase 2 functions in exogenous nitric oxide-induced stomatal closure in Arabidopsis thaliana.

Wei Xu, Hong-hui Lin, D. Lv, 2015, Functional plant biology : FPB.

Theoretical study on the unimolecular decomposition of 2-chlorinated ethyl hydroperoxide

Li Wang, Jinglai Zhang, Xin Wang, 2016 .

Tuning the color and phosphorescent properties of iridium(III) complexes with phosphine-silanolate ancillary ligand: A theoretical investigation

Li Wang, Jinglai Zhang, Xin Wang, 2016 .

Computational insights into the photophysical and electroluminescence properties of homoleptic fac-Ir(C^N)3 complexes employing different phenyl-derivative-featuring phenylimidazole-based ligands for promising phosphors in OLEDs.

Li Wang, Jinglai Zhang, Jieqiong Li, 2016, Dalton transactions.

Tuning the electronic and phosphorescence properties of blue-emitting iridium(III) complexes through different cyclometalated ligand substituents: a theoretical investigation.

Hong-Qing He, Li Wang, Jinglai Zhang, 2015, Dalton transactions.

Star-Shaped Molecules as Dopant-Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation.

Jia Guo, Yue Zhang, Li Wang, 2018, Chemical record.

Constructive effects of the interfacial properties: A strategy to design hole transport materials for high performance perovskite solar cells

Yue Zhang, Li Wang, Wenpeng Wu, 2018, Organic Electronics.

Synergistic effect of carboxylmethyl group and adjacent methylene substitution in pyrazolium ionic liquid promote the conversion of CO2 under benign condition

Yuanmi Zhang, Li Wang, Jinglai Zhang, 2019 .

Benzyl substituted imidazolium ionic liquids as efficient solvent-free catalysts for the cycloaddition of CO2 with epoxides: Experimental and Theoretic study

Li Wang, Jinglai Zhang, Tengfei Wang, 2017 .

Carbazole-substituted NP-based derivative as hole transporting material for highly efficient perovskite solar cells.

Yue Zhang, Li Wang, Jinglai Zhang, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A rational design of hole-transport small molecules based on fluorene with different modified groups for organic lead-halide perovskite solar cells

Jia Guo, Yue Zhang, Li Wang, 2018, Dyes and Pigments.

First principles study on interface between dual-channel anchorable organic dyes and TiO 2 for dye-sensitized solar cells

Y. Wen, Li Wang, Wenpeng Wu, 2018 .

Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation

Chaozheng He, Hong-Qing He, Li Wang, 2015 .

Insight into the Cation-Regulated Mechanism For the Hydration of Propargyl Alcohols Catalyzed by [Bu4p+][Im-]

Yuhang Hu, Li Wang, Jinglai Zhang, 2022, SSRN Electronic Journal.

Relationship between hydrogen bond and viscosity for a series of pyridinium ionic liquids: Molecular dynamics and quantum chemistry

Li Wang, Jinglai Zhang, Yuan Ma, 2018 .

Multiscale simulations to uncover the relationship between hydrogen bond and viscosity for ammonium-based ionic liquids

Yue Zhang, Li Wang, Jinglai Zhang, 2018, Journal of Molecular Liquids.

Adsorbed film and synergistic effect of Benzyltriphenylphosphonium chloride and l-Histidine for magnesium alloys corrosion in NaCl

Yuanmi Zhang, Li Wang, Jinglai Zhang, 2020 .

Integration of 980/808 nm double sensitizers to fabricate the upconversion nanoparticles/NH2-MIL-101(Fe) hybrid photocatalyst toward ofloxacin, tetracycline, and Cr(VI)

Li Wang, Jinglai Zhang, Ru Bai, 2022, Journal of Environmental Chemical Engineering.

Construction of full solar-light driven NaYF4:Yb,Tm,Er@NaYF4:Eu/NH2-MIL-101(Fe) composite photocatalyst toward degradation of antibiotics: introducing the energy trapping centers

Cong Liu, Li Wang, Jinglai Zhang, 2022, Journal of Alloys and Compounds.

Low-lying excited state energy trap induced by cross-relaxation – the main origin of concentration quenching in lanthanide upconversion nanoparticles

H. Ågren, Haichun Liu, J. Widengren, 2022, Journal of Alloys and Compounds.

ROP-GEF signal transduction is involved in AtCAP1-regulated root hair growth

L. Bai, Li Wang, Chunpeng Song, 2018, Plant Growth Regulation.

Refine the crystallinity of upconversion nanoparticles for NIR-enhanced photocatalysis

Li Wang, Jinglai Zhang, Hehe Ren, 2021, CrystEngComm.

First principles study of thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Screen novel π-linkers and explore the interface between photosensitizers and TiO 2

Y. Wen, Li Wang, Jinglai Zhang, 2016 .

Theoretical studies on the structures and electronic spectra of carbon chains CnN (n = 3–12)

Yanxin Zhang, Li Wang, Jinglai Zhang, 2013, Theoretical Chemistry Accounts.

Theoretical study on the reactions of CH3NHNH2 with ground state O(3P) atom and excited state O(1D) atom

Hong-Qing He, Li Wang, Jinglai Zhang, 2014 .

Exploration of catalytic species for highly efficient preparation of quinazoline-2,4(1H,3H)-diones by succinimide-based ionic liquids under atmospheric pressure: Combination of experimental and theoretical study

Li Wang, Jinglai Zhang, Tengfei Wang, 2022, Fuel.

Theoretical studies of ground and excited states in a series of Zn(II) complexes, derived from thiourea and thiosemicarbazide

Hong-Qing He, Yanxin Zhang, Li Wang, 2014 .

Substituent effects on electronic structure and spectral property of Zn(II) complexes based on the OONX ligands: DFT and TDDFT theoretical studies

Hong-Qing He, Yanxin Zhang, Li Wang, 2014 .

Introducing thiophene and benzothiadiazole groups in triphenylamine-based organic dyes with rigidly fused π-bridge to design high-efficiency solar cells: A theoretical investigation

Xugeng Guo, Li Wang, Jinglai Zhang, 2021 .

Insights into the synergistic influence of [Emim][OAc] and AgOAc for the hydration of propargylic alcohols to α-hydroxy ketones in the presence of CO2

Yuhang Hu, Li Wang, Jinglai Zhang, 2021, Catalysis Science & Technology.

“Responsive” ionic liquids to catalyze the transformation of carbon dioxide under atmospheric pressure

Yuhang Hu, Li Wang, Jinglai Zhang, 2021 .

Dual-ionic imidazolium salts to promote synthesis of cyclic carbonates at atmospheric pressure

H. Ågren, Li Wang, Jinglai Zhang, 2021 .

Insight into inhibition behavior of novel ionic liquids for magnesium alloy in NaCl solution: Experimental and theoretical investigation

Yuanmi Zhang, Li Wang, Jinglai Zhang, 2020 .

Theoretical investigations of the structures and electronic spectra of Zn(II) and Ni(II) complexes with cyclohexylamine-N-dithiocarbamate.

Hong-Qing He, Li Wang, Nan Wang, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A CASSCF/CASPT2 insight into excited‐state intramolecular proton transfer of four imidazole derivatives

Li Wang, Yuanyuan Li, Xugeng Guo, 2015, J. Comput. Chem..

Theoretical studies on the spectroscopic properties of a series of palladium (II) complexes with 1-allyl-3-(2-pyridyl)thiourea

Hong-Qing He, Yanxin Zhang, Li Wang, 2013 .

Effect of primary and secondary ligands on electronic structures and spectra of a series of nickel (II) complexes: a density functional theory study

Hong-Qing He, Jia Guo, Li Wang, 2013 .

Influence of primary and auxiliary ligand on spectroscopic properties and luminescent efficiency of organoplatinum(II) complexes bearing functionalized cyclometalated C^N^C ligands.

Hong-Qing He, Yanxin Zhang, Li Wang, 2014, Dalton transactions.

The reasons for ligand-dependent quantum yields and spectroscopic properties of platinum(II) complexes based on tetradentate O^N^C^N ligands: a DFT and TD-DFT study.

Hong-Qing He, Li Wang, Jinglai Zhang, 2014, Dalton transactions.

Rational Design of Phenothiazine-Based Organic Dyes for Dye-Sensitized Solar Cells: The Influence of π-Spacers and Intermolecular Aggregation on Their Photovoltaic Performances

Xugeng Guo, Li Wang, Jinglai Zhang, 2020 .

Influence of ionic liquids microenvironment on the coupling reaction of epoxide and carbon dioxide: DFT and MD

Yuhang Hu, Xugeng Guo, Li Wang, 2020 .

To design high efficient red-emitting iridium complexes by variation of ancillary ligand: Emissive rule and quantum yield

Li Wang, Wenpeng Wu, Yuanyuan Li, 2017 .

Orange peel extracts as biodegradable corrosion inhibitor for magnesium alloy in NaCl solution: Experimental and theoretical studies

Xugeng Guo, Yuanmi Zhang, Li Wang, 2020 .

Corrosion inhibition of magnesium alloy in NaCl solution by ionic liquid: Synthesis, electrochemical and theoretical studies

Li Wang, Jinglai Zhang, Tiegang Ren, 2019, Journal of Alloys and Compounds.

Enhancing the long-term anti-corrosion property of Mg alloy by quaternary phosphonium salt: Integrated experimental and theoretical approaches

Yuanmi Zhang, Li Wang, Jinglai Zhang, 2021 .

Dual-Level Direct Dynamics Studies on the Hydrogen Abstraction Reactions of CH2CH3-nXn+HBr (X=Cl, Br and n=1, 2)

Hong-Qing He, Li Wang, Jinglai Zhang, 2012 .

Effect of ionic liquids clusters microenvironment on cycloaddition reaction of carbon dioxide

Li Wang, Jinglai Zhang, Dan-Dan Zheng, 2019, Journal of Molecular Liquids.

Protic Pyrazolium Ionic Liquids: An Efficient Catalyst for Conversion of CO2 in the Absence of Metal and Solvent

Li Wang, Jinglai Zhang, Tengfei Wang, 2017 .

Influence of Uncoordinated N Content on Ni-N-C Electrocatalyst for Co2 Reduction: Combining First Principle With Machine Learning

Li Wang, Jinglai Zhang, Yuanyuan Li, 2023, SSRN Electronic Journal.

Exploration of walnut green husk extract as a renewable biomass source to develop highly effective corrosion inhibitors for magnesium alloys in sodium chloride solution: Integrated experimental and theoretical studies

Ning Li, Yuanmi Zhang, Li Wang, 2021 .

DFT/TD-DFT study on spectroscopic properties of zinc(II), nickel(II), and palladium(II) metal complexes with a thiourea derivative

Li Wang, Wenpeng Wu, Xin Wang, 2016 .

Insight into the Active Sites of N,P-Codoped Carbon Materials for Electrocatalytic CO2 Reduction.

Li Wang, Jinglai Zhang, Jingsheng Zhou, 2022, Inorganic chemistry.

Uncovering the coordination effect on the Ni single-atom catalysts for CO2 reduction including vacancy defect and non-vacancy defect structures

Li Wang, Jinglai Zhang, Jingsheng Zhou, 2021, Fuel.

Synergistic inhibition effect of L-Phenylalanine and zinc salts on chloride-induced corrosion of magnesium alloy: Experimental and theoretical investigation

Ning Li, Yuanmi Zhang, Li Wang, 2021 .

Accurate estimation of the photoelectric conversion efficiency of a series of anthracene-based organic dyes for dye-sensitized solar cells

Xugeng Guo, Li Wang, Jinglai Zhang, 2020 .

Thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Effect of π-linker on the performance of isolated dye and interface between dyes and TiO2

Y. Wen, Li Wang, Jinglai Zhang, 2016 .

Quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups as highly efficient catalysts for the fixation of CO2: a theoretical study by QM and MD

Li Wang, Jinglai Zhang, Xin Wang, 2016 .

Hydroxyl-Functionalized Ionic Liquid Promoted CO2 Fixation According to Electrostatic Attraction and Hydrogen Bonding Interaction

Suojiang Zhang, Hongyan He, Li Wang, 2014 .

The mechanism research on the reaction HCNO + HO2: a theoretical investigation

Li Wang, Jinglai Zhang, Ci Chen, 2016, Theoretical Chemistry Accounts.

Computational Protocol for Precise Prediction of Dye-Sensitized Solar Cell Performance

H. Ågren, Li Wang, Jinglai Zhang, 2020 .

Theoretical insight into electronic spectra of carbon chain carbenes H2Cn (n = 3-10).

Yanxin Zhang, Li Wang, Jinglai Zhang, 2013, The Journal of chemical physics.

Insight into regulation of emission color and photodeactivation process from heteroleptic to homoleptic Ir(III) complexes

Li Wang, Jinglai Zhang, Xin Wang, 2017 .

Elucidation of hydrogen-release mechanism from methylamine in the presence of borane, alane, diborane, dialane, and borane–alane

Hong-Qing He, Li Wang, Jinglai Zhang, 2015 .

Nickel Phthalocyanine Modified Fruit -Peel -Derived Carbon Framework Selectively Electro-Catalyzes Co2-to-Co Conversion

Li Wang, Jinglai Zhang, Guanyao Yu, 2023, SSRN Electronic Journal.

Exploring the influence of different ancillary ligands of heteroleptic Ir(III) complexes on the phosphorescent properties: Emissive rule and photodeactivation dynamics

Li Wang, Jinglai Zhang, Songyan Feng, 2017 .

Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts

Suojiang Zhang, Hongyan He, Li Wang, 2015 .

Theoretical study on dynamics of the gas phase reactions of CF3CF2CH2OCHF2 with OH radicals

Hong-Qing He, Li Wang, Jinglai Zhang, 2014 .

Theoretical studies on the reactions of CHF2CF2OCH3/CH2FCF2OCH3 with OH radicals

Hong-Qing He, Li Wang, Jinglai Zhang, 2013 .

Theoretical study on the reaction of atomic oxygen with unsymmetrical dimethylhydrazine

Hong-Qing He, Li Wang, Jinmiao Wen, 2013 .

Theoretical studies on the spectroscopic properties of a series of halide Zinc (II) complexes with pyridinylimine and pyridinylmethylamine derivatives

Hong-Qing He, Yanxin Zhang, Li Wang, 2012 .

Polystyrene-supported novel imidazolium ionic liquids: Highly efficient catalyst for the fixation of carbon dioxide under atmospheric pressure

Yuhang Hu, Li Wang, Jinglai Zhang, 2021 .

Theoretical insight into the distinct photocatalytic activity between NiOx and CoOx loaded Ta3N5 photocatalyst

Li Wang, Jinglai Zhang, Xin Zhou, 2017 .

Dual emission behavior of phenyleneethynylene gold(I) complexes dictated by intersystem crossing: a theoretical perspective.

Hong-Qing He, Yanxin Zhang, Li Wang, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Insight into the role of weak interaction played in the fixation of CO2 catalyzed by the amino-functionalized imidazolium-based ionic liquids

Suojiang Zhang, Hongyan He, Li Wang, 2017 .

Efficient responsive ionic liquids with multiple active centers for the transformation of CO2 under mild conditions: Integrated experimental and theoretical study

Yuhang Hu, Li Wang, Jinglai Zhang, 2021, Journal of CO2 Utilization.

Exploring the properties of carbazole-based derivatives as hole transport materials from first principle and MD simulation

Renjie Shao, Yue Zhang, Li Wang, 2018 .

Transient energy trapping as a size-conserving surface passivation strategy for producing bright ultrasmall upconversion nanoprobes

H. Ågren, Haichun Liu, J. Widengren, 2022, Nano Energy.

Combination of experimental and theoretical methods to explore the amino-functionalized pyrazolium ionic liquids: An efficient single-component catalyst for chemical fixation of CO2 under mild conditions

Jia Guo, Li Wang, Jinglai Zhang, 2019, Molecular Catalysis.

Mechanisms and kinetics of hydrogen abstraction of methylhydrazine and deuterated methylhydrazine with H/D atoms

Li Wang, Yuanyuan Zhao, Jinglai Zhang, 2013, Theoretical Chemistry Accounts.

Effects of π-conjugation on electrochemical properties within hole-transporting materials for perovskite solar cells from first principle and molecular dynamics

Li Wang, Yue Zhang, Li Wang, 2017 .

Design new hole transport materials for efficient perovskite solar cells by suitable combination of donor and core groups

Li Wang, Ci Chen, Yue Zhang, 2017 .

Mechanism for H2 release from potential hydrogen storage materials of phosphine alane and phosphine borane in the presence or absence of alane or borane: a theoretical study

Hong-Qing He, Li Wang, Jinglai Zhang, 2013 .

A theoretical study on the mechanism and dynamics of reactions (CF3)2CHOCH2F/(CF3)2CHOCHF2 with OH radical

Hong-Qing He, Li Wang, Jinmiao Wen, 2014 .

Influence of Different Molecular Design Strategies on Photovoltaic Properties of a Series of Triphenylamine-Based Organic Dyes for Dye-Sensitized Solar Cells: Insights from Theoretical Investigations

Yuhang Hu, Xugeng Guo, Li Wang, 2020 .

Rational Design of High-Efficiency Organic Dyes in Dye-Sensitized Solar Cells by Multiscale Simulations

Li Wang, Jinglai Zhang, Tiegang Ren, 2018, The Journal of Physical Chemistry C.

New carbazole-based dyes with asymmetric butterfly structure for dye-sensitized solar cells: Design and properties studies

Y. Wen, Li Wang, Jinglai Zhang, 2017 .

Machine Learning for the Yield Prediction of Co2 Cyclization Reaction Catalyzed by the Ionic Liquids

Li Wang, Jinglai Zhang, Yuanyuan Li, 2023, Social Science Research Network.

Efficient synthesis of cyclic carbonates under atmospheric CO2 by DMAP-based ionic liquids: The difference of inert hydrogen atom and active hydrogen atom in cation

Li Wang, Jinglai Zhang, Menglong Wang, 2022, Green Chemical Engineering.

Development of photocatalyst based on NaYF4: Yb, Tm@NaYF4: Yb, Ce/NH2-MIL-101 (Cr): Doping Ce3+ ions to promote the efficient energy transfer between core and shell

Li Wang, Jinglai Zhang, Hehe Ren, 2022 .

Solvent effects on the coupling reaction of CO2 with PO catalyzed by hydroxyl imidazolium ionic liquid: Comparison of different models

Li Wang, Jinglai Zhang, Xinrui Zhu, 2018, Journal of CO2 Utilization.

Protic Pyrazolium Ionic Liquids for Efficient Chemical Fixation of CO2:Design, Synthesis, and Catalysis

Li Wang, Jinglai Zhang, Ci Chen, 2018 .

Effect of cluster of quaternary ammonium ionic liquids on catalytic performance for CO2 fixation: ONIOM and MD

Li Wang, Jinglai Zhang, Xinrui Zhu, 2019, Journal of Materials Science.

Hydroxyl-functionalized pyrazolium ionic liquids to catalyze chemical fixation of CO2: Further benign reaction condition for the single-component catalyst

Ning Li, Li Wang, Jinglai Zhang, 2019, Journal of Molecular Liquids.

Hydroxyl-Imidazolium Ionic Liquid-Functionalized MIL-101(Cr): A Bifunctional and Highly Efficient Catalyst for the Conversion of CO2 to Styrene Carbonate.

Li Wang, Jinglai Zhang, Yi Liu, 2022, Inorganic chemistry.

Interfacial properties of high-order aggregation of organic dyes: A combination of static and dynamic properties

Y. Wen, Li Wang, Jinglai Zhang, 2018, Energy.

Inclusion of aggregation effect to evaluate the performance of organic dyes in dye-sensitized solar cells

Li Wang, Jinglai Zhang, W. F. Zhang, 2018 .

Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable theoretical improvement

H. Ågren, Xugeng Guo, Li Wang, 2021, Journal of Materials Chemistry C.

Mechanism of hexaalkylguanidinium salt/zinc bromide binary catalysts for the fixation of CO2 with epoxide: A DFT investigation

Suojiang Zhang, Hongyan He, Li Wang, 2016 .

A dual‐level direct dynamics study on the hydrogen abstraction reaction of oxygen atom with methylhydrazine

Hong-Qing He, Li Wang, Jinglai Zhang, 2013 .

Rate constants calculation of hydrogen abstraction reactions CH3CHBr+HBr and CH3CBr2+HBr

Hong-Qing He, Li Wang, Jinglai Zhang, 2013 .

Hydrogen abstraction reactions of OH radicals with CH3CH2CH2Cl and CH3CHClCH3: A mechanistic and kinetic study

Li Wang, Yanjie Li, Jinglai Zhang, 2012, J. Comput. Chem..

Theoretical study on the hydrogen abstraction reactions of CF3CHFCF3 and CF3CF2CHF2 with X atoms (X = F, Cl, and Br)

Li Wang, Yuanyuan Zhao, Jinmiao Wen, 2013 .

Dual-level direct dynamics study on the hydrogen abstraction reaction of fluorine atom with 1,1-difluoro-1-chloroethane

Hong-Qing He, Li Wang, Jinglai Zhang, 2011 .

Reactions of chlorine atoms and hydroxyl radicals with trichloroethanol: a mechanistic and kinetic study

Li Wang, Jinglai Zhang, Song Liu, 2010 .

One-step preparation of ammonium-specified pyrazolium ionic liquids unveil the more popular pathway for the CO2 fixation: Integrated experimental and theoretical studies

Yuhang Hu, Li Wang, Jinglai Zhang, 2021 .

Catalytic performance of a series of guanidinium-based ionic liquids in the coupling reaction of carbon dioxide with epoxides

Ping Li, Li Wang, Jinglai Zhang, 2016 .

Computational studies of electronic structures and photophysical properties of luminescent iridium(III) complexes based on amidinate/bis(pyridylphenyl) ligands

Li Wang, Jinglai Zhang, Xin Wang, 2016 .

Mechanism of fixation of CO2 with an epoxide catalyzed by ZnBr2 and a choline chloride co-catalyst: a DFT study

Hong-Qing He, Li Wang, Jinglai Zhang, 2015 .

Protic Quaternary Ammonium Ionic Liquids for Catalytic Conversion of CO2 into Cyclic Carbonates: A Combined Ab Initio and MD Study

Suojiang Zhang, Hongyan He, Li Wang, 2018 .

Rational design of D-π-A organic dyes to prevent "trade off" effect in dye-sensitized solar cells.

Li Wang, Jinglai Zhang, Wenpeng Wu, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Application of quantitative prediction to design new organic dyes in dye sensitized solar cells

Xugeng Guo, Li Wang, Junfeng Li, 2019, Journal of Molecular Liquids.

First-Principles and Molecular Dynamics on A–D(Π)–A Type Sensitizers for Dye-Sensitized Solar Cells: Effects of Various Anchoring Groups on Electronic Coupling and Dye Aggregation

Y. Wen, Li Wang, Jinglai Zhang, 2017 .

Theoretical studies on cyclometalated platinum(II) complexes based on isoquinolinyl azolate: ππ-stacking interaction and photophysical properties

Li Wang, Jinglai Zhang, Yuanyuan Li, 2016 .

Investigation and design of high efficiency carbazole-based sensitizers for solar cells: Effect of the nature and length of π-linker

Chaozheng He, Li Wang, Jinglai Zhang, 2015 .

Influence of π spacer of donor-acceptor-π-acceptor sensitizers on photovoltaic properties in dye-sensitized solar cells

Yuanmi Zhang, Li Wang, Jinglai Zhang, 2020 .

The effects of dye aggregation on the performance of organic dyes in dye-sensitized solar cells: From static model to molecular dynamics simulation

Yue Zhang, Li Wang, Jinglai Zhang, 2019, Journal of Luminescence.

Influence of V-containing species on formation and corrosion resistance of PEO coatings developed on AZ31B Mg alloy

Li Wang, Jinglai Zhang, Ning Ling, 2023, Ceramics International.

Effect of cluster of protic pyrazolium ionic liquids or epoxides on the cycloaddition of CO2

Li Wang, Jinglai Zhang, Dan-Dan Zheng, 2019 .

Electrophoretic deposition of tetracycline loaded bioactive glasses/chitosan as antibacterial and bioactive composite coatings on magnesium alloys

Wenyan Tang, Li Wang, Jinglai Zhang, 2023, Progress in Organic Coatings.

Effect of hydrogen bond on the viscosity of ionic liquid studied by combination of molecular dynamics and quantum chemistry

Li Wang, Jinglai Zhang, Yuan Ma, 2017, Theoretical Chemistry Accounts.

Mechanism of reaction CH3COCl with HNO: A theoretical study

Li Wang, Wenpeng Wu, Ci Chen, 2016 .

Boosting the Efficiency of Dye-Sensitized Solar Cells by a Multifunctional Composite Photoanode to 14.13.

Xugeng Guo, Li Wang, Jinglai Zhang, 2023, Angewandte Chemie.

Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation

Hong-Qing He, Li Wang, Jinglai Zhang, 2015 .

Suppression of Cation Intermixing Highly Boosts the Performance of Core–Shell Lanthanide Upconversion Nanoparticles

Haichun Liu, J. Widengren, Qiuqiang Zhan, 2023, Journal of the American Chemical Society.

Solvent effect on the fixation of CO2 catalyzed by quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups: A combined molecular dynamics simulation and ONIOM study

Y. Wen, Li Wang, Jinglai Zhang, 2017 .

Exploration and design of Mg alloys for hydrogen storage with supervised machine learning

Li Wang, Jinglai Zhang, Yuanyuan Li, 2023, International Journal of Hydrogen Energy.

Enhancement of the discharge behavior for Mg-air battery by adjusting the chelate ability of ionic liquid electrolyte additives

Li Wang, Jinglai Zhang, Shanshan Song, 2023, Journal of Energy Storage.

Insight into the activity of efficient acid–base bifunctional catalysts for the coupling reaction of CO2

Suojiang Zhang, Hongyan He, Li Wang, 2015 .