Quan-De Wang

发表

Experimental study on sooting characteristics of a direct coal liquefaction derived jet fuel and its blend with RP-3 jet fuel

Zuojun Xia, Jinhu Liang, Xiaoliang Li, 2022, Fuel.

Skeletal chemical kinetic mechanism generation for methanol combustion and systematic analysis on the ignition characteristics

Jinhu Liang, Quan-De Wang, W. Jia, 2020 .

The identification of active N species in N-doped carbon carriers that improve the activity of Fe electrocatalysts towards the oxygen evolution reaction

Jinlong Liu, Guo-jun Kang, Quan-De Wang, 2019, RSC advances.

An updated detailed reaction mechanism for syngas combustion

Quan-De Wang, Quan‐De Wang, 2014 .

An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions

H. Curran, S. Nagaraja, Snehasish Panigrahy, 2021 .

Accurate prediction of enthalpy of formation combined with AM1 method and molecular descriptors

Quan-De Wang, Zhongyu Wan, 2020 .

Theoretical study of the hydrogen abstraction reactions from substituted phenolic species

Jinhu Liang, Quan-De Wang, Maomao Sun, 2020 .

Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate

Xiangyuan Li, Quan-De Wang, Fan Wang, 2013 .

Phosphorus-doped carbon nanotubes supported low Pt loading catalyst for the oxygen reduction reaction in acidic fuel cells

F. Peng, Rufan Zhang, Guo-jun Kang, 2014 .

Ignition characteristics of an alternative kerosene from direct coal liquefaction and its blends with conventional RP-3 jet fuel

Zuojun Xia, Jinhu Liang, Bi-Yao Wang, 2021 .

Single-Pulse Shock Tube Experimental and Kinetic Modeling Study on Pyrolysis of a Direct Coal Liquefaction-Derived Jet Fuel and Its Blends with the Traditional RP-3 Jet Fuel

Zuojun Xia, Jinhu Liang, Fei Li, 2021, ACS omega.

Low Pt content catalyst supported on nitrogen and phosphorus-codoped carbon nanotubes for electrocatalytic O2 reaction in acidic medium

F. Peng, G. Zhong, Xin Fu, 2015 .

An application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of hydrogen with methyl esters at the methoxy group

Guo-jun Kang, Quan-De Wang, Xingjian Wang, 2014 .

Nonequilibrium solvation energy by means of constrained equilibrium thermodynamics and its application to self-exchange electron transfer reactions.

Jianyi Ma, Xiangyuan Li, Quan-De Wang, 2010, Physical chemistry chemical physics : PCCP.

Computational study of the reaction mechanism of the methylperoxy self-reaction.

Jun Yu Li, Xiangyuan Li, Quan-De Wang, 2011, The journal of physical chemistry. A.

Novel silicon-doped, silicon and nitrogen-codoped carbon nanomaterials with high activity for the oxygen reduction reaction in alkaline medium

M. Li, F. Wang, F. Peng, 2015 .

Reaction Mechanisms and Kinetics of the Hydrogen Abstraction Reactions of C4–C6 Alkenes with Hydroxyl Radical: A Theoretical Exploration

Jinhu Liang, Quan-De Wang, Mao-mao Sun, 2019, International journal of molecular sciences.

Si-doped carbon nanotubes as efficient metal-free electrocatalysts for O2 reduction in alkaline medium

F. Peng, Xin Fu, Quan-De Wang, 2015 .

Phosphorous‐Doped Graphite Layers with Outstanding Electrocatalytic Activities for the Oxygen and Hydrogen Evolution Reactions in Water Electrolysis

Jinlong Liu, Quan-De Wang, Ziwu Liu, 2020, Advanced Functional Materials.

A correlation of the hydrogen evolution reaction activity to the number of defects formed by the decomposition of doped phosphorus species in carbon nanotubes

Quan-De Wang, Ziwu Liu, Ling Liu, 2022, New Carbon Materials.

Theoretical studies of unimolecular thermal decomposition reactions of n-hexane and n-hexene isomers

Quan-De Wang, Quan‐De Wang, 2017 .

Theoretical studies on the hydrogen abstraction reactions of methyl esters with HO2 radical and the following β‐scission reactions

Quan-De Wang, 2017 .

Effects of fuel additives on the thermal cracking of n-decane from reactive molecular dynamics.

Xiangyuan Li, Quan-De Wang, Juan-Qin Li, 2012, The journal of physical chemistry. A.

Influences of N species in N-doped carbon carriers on the catalytic performance of supported Pt

Jinlong Liu, Quan-De Wang, Jia-Jia Jia, 2019, Materials Chemistry and Physics.

ReaxFF molecular dynamics simulations of oxidation of toluene at high temperatures.

Xiangyuan Li, Quan-De Wang, Juan-Qin Li, 2012, The journal of physical chemistry. A.

Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane

Quan-De Wang, Xiangyuan Li, Quan-De Wang, 2011 .

Chemical Kinetics of Hydrogen Atom Abstraction from Propargyl Sites by Hydrogen and Hydroxy Radicals

Jinhu Liang, Quan-De Wang, Yanjin Sun, 2019, International journal of molecular sciences.

Simultaneous measurements of temperature, CO, and CO2 time-history in reacting n-heptane/O2/argon mixtures blended with diethyl ether behind reflected shock waves

Yanjun Ding, Quan-De Wang, Zhimin Peng, 2022, Combustion and Flame.

A comparative single-pulse shock tube experiment and kinetic modeling study on pyrolysis of cyclohexane, methylcyclohexane and ethylcyclohexane

Fei Li, Quan-De Wang, Ruining He, 2022, Defence Technology.

Machine learning prediction of stability, topological properties and band gap of topological insulators in tetradymites

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2021 .

Data-driven machine learning model for the prediction of oxygen vacancy formation energy of metal oxide materials.

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2021, Physical chemistry chemical physics : PCCP.

Skeletal mechanism generation for high-temperature oxidation of kerosene surrogates

Quan-De Wang, Xiangyuan Li, Quan-De Wang, 2012 .

Benchmarking Composite Methods for Thermodynamic Properties of Nitro, Nitrite, and Nitrate Species Relevant to Energetic Materials

Guo-jun Kang, Quan-De Wang, Xue‐Feng Ren, 2023, Chemical Physics Letters.

Benchmark calculations for bond dissociation energies and enthalpy of formation of chlorinated and brominated polycyclic aromatic hydrocarbons

Jinhu Liang, Quan-De Wang, Guoliang Yin, 2021, RSC advances.

Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons.

H. Curran, K. Somers, Quan-De Wang, 2020, Physical chemistry chemical physics : PCCP.

High-level theoretical study of the hydrogen abstraction reaction H2S + O2 = SH + HO2 and prediction of the rate constants

Jinhu Liang, Quan-De Wang, Mao-mao Sun, 2019, Computational and Theoretical Chemistry.

Theoretical and kinetic study of the hydrogen atom abstraction reactions of unsaturated C6 methyl esters with hydroxyl radical

Quan-De Wang, Zhonghai Ni, 2016 .

Theoretical and kinetic study of the hydrogen atom abstraction reactions of ethyl esters with hydrogen radicals

Guo-jun Kang, Quan-De Wang, Ziwu Liu, 2014 .

Single-Pulse Shock Tube Pyrolysis Study of RP-3 Jet Fuel and Kinetic Modeling

Zuojun Xia, Jinhu Liang, P. Zeng, 2021, ACS omega.

Influence of the double bond on the hydrogen abstraction reactions of methyl esters with hydrogen radical: an ab initio and chemical kinetic study

Weidong Zhang, Quan-De Wang, 2015 .

Comparative Chemical Kinetic Analysis and Skeletal Mechanism Generation for Syngas Combustion with NOx Chemistry

H. Curran, Quan-De Wang, Yanjin Sun, 2019, Energy & Fuels.

Skeletal Mechanism Generation for High-Temperature Combustion of H2/CO/C1–C4 Hydrocarbons

Quan-De Wang, 2013 .

Experimental and Kinetic Modeling Study on High-Temperature Autoignition of Cyclohexene

Jinhu Liang, Xiaoliang Li, Fei Li, 2022, ACS omega.

Comparative study on ignition characteristics of n-propylbenzene, 1,3,5-trimethylbenzene and 1,2,4-trimethylbenzene behind reflected shock waves

Jinhu Liang, Xiaoliang Li, Fei Li, 2022, Fuel.

Design and implementation of insulators material hydrophobicity measure system by support vector machine decision tree learning

Zhi-Feng Zhong, Xian-Pei Wang, Quan-De Wang, 2005, 2005 International Conference on Machine Learning and Cybernetics.

Discovery of ester lubricants with low coefficient of friction on material surface via machine learning

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2021 .

Development of Multipurpose Skeletal Core Combustion Chemical Kinetic Mechanisms

H. Curran, S. Yang, Snehasish Panigrahy, 2021 .

Time-Dependent Stokes Shift from Solvent Dielectric Relaxation

Xiangyuan Li, Quan-De Wang, Ke-Xiang Fu, 2010 .

Machine Learning Prediction of the Exfoliation Energies of Two-Dimension Materials via Data-Driven Approach.

Quan-De Wang, Zhongyu Wan, 2021, The journal of physical chemistry letters.

Accurate prediction of standard enthalpy of formation based on semiempirical quantum chemistry methods with artificial neural network and molecular descriptors

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2020, International Journal of Quantum Chemistry.

Prediction of band gap for 2D hybrid organic–inorganic perovskites by using machine learning through molecular graphics descriptors

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2021 .

Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function

Xiangyuan Li, Quan-De Wang, Ke-Xiang Fu, 2009 .

An experimental and kinetic modeling study on the high-temperature ignition and pyrolysis characteristics of cyclohexylamine

Yan Zhang, Jinhu Liang, Quan-De Wang, 2023, Combustion and Flame.

Machine learning prediction of the optimal carrier concentration and band gap of quaternary thermoelectric materials via element feature descriptors

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2021 .

An approach to avoid the mix potential for Pt-based cathode catalysts in the direct ethanol fuel cell

Guo-jun Kang, Quan-De Wang, Ziwu Liu, 2020 .

Development of machine learning models for the prediction of laminar flame speeds of hydrocarbon and oxygenated fuels

Jinhu Liang, Quan-De Wang, Zhongyu Wan, 2022, Fuel Communications.

A Hierarchical Theoretical Study of the Hydrogen Abstraction Reactions of H2/C1–C4 Molecules by the Methyl Peroxy Radical and Implications for Kinetic Modeling

Jinhu Liang, Quan-De Wang, Ruining He, 2022, ACS omega.

Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning

Jinhu Liang, Zhongyu Wan, Quan-De Wang, 2021 .