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

Advanced functional materials, 2020-03, Vol.30 (12), p.n/a

2020

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

International journal of quantum chemistry, 2021-01, Vol.121 (2), p.n/a

2021

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

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (29), p.15675-15684

2021

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

New journal of chemistry, 2021-06, Vol.45 (21), p.9427-9433

2021

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

Journal of physical organic chemistry, 2017-08, Vol.30 (8), p.n/a

Wang, Quan‐De

2017

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

International journal of molecular sciences, 2019-03, Vol.20 (6), p.1275

2019

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

Combustion and flame, 2011-02, Vol.158 (2), p.217-226

2011

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Active P species in P-doped graphite carriers improving the electrocatalytic performance of supported Pt towards the hydrogen evolution reaction

New journal of chemistry, 2021-11, Vol.45 (46), p.2167-21675

2021

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Ab initio kinetic study on the abstraction reactions of methylcyclohexane and implications for high‐temperature ignition simulations from shock tube experiment

International journal of chemical kinetics, 2024-06, Vol.56 (6), p.325-338

2024

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Exergames improves cognitive functions in adolescents with depression: study protocol of a prospective, assessor-blind, randomized controlled trial

BMC psychiatry, 2023-07, Vol.23 (1), p.507-507, Article 507

2023

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

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.27241-27254

2020

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

RSC advances, 2021-09, Vol.11 (47), p.2969-2971

2021

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Effects of chronic cocaine exposure on the circadian rhythmic expression of the clock genes in reward-related brain areas in rats

Behavioural brain research, 2019-05, Vol.363, p.61-69

2019

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

International journal of molecular sciences, 2019-06, Vol.20 (13), p.3227

2019

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

Asia-Pacific journal of chemical engineering, 2020-05, Vol.15 (3), p.n/a

2020

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

RSC advances, 2019-02, Vol.9 (9), p.4806-4811

2019

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Skeletal Mechanism Generation for Methyl Butanoate Combustion via Directed Relation Graph Based Methods

Wuli huaxue xuebao, 2016-03, Vol.32 (3), p.595-604

WANG, Quan-De

2016

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

Materials letters, 2015-11, Vol.158, p.32-35

2015

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

The journal of physical chemistry letters, 2021-11, Vol.12 (46), p.11470-11475

2021

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Design, synthesis and in vitro antitumor activity of 17β-estradiol-amino acid derivatives

Arabian journal of chemistry, 2024-02, Vol.17 (2), p.105539, Article 105539

2024

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

Computational materials science, 2021-10, Vol.198, p.110699, Article 110699

2021

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Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves

ACS omega, 2023-10, Vol.8 (42), p.39749-39758

2023

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Preliminary Study on Changes of Sleep EEG Power and Plasma Melatonin in Male Patients With Major Depressive Disorder After 8 Weeks Treatment

Frontiers in psychiatry, 2021-11, Vol.12, p.736318-736318

2021

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

Proceedings of the Combustion Institute, 2013, Vol.34 (1), p.187-195

2013

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

ACS omega, 2021-04, Vol.6 (16), p.11039-11047

2021

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

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

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

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

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

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

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

Active P species in P-doped graphite carriers improving the electrocatalytic performance of supported Pt towards the hydrogen evolution reaction

Ab initio kinetic study on the abstraction reactions of methylcyclohexane and implications for high‐temperature ignition simulations from shock tube experiment

Exergames improves cognitive functions in adolescents with depression: study protocol of a prospective, assessor-blind, randomized controlled trial

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

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

Effects of chronic cocaine exposure on the circadian rhythmic expression of the clock genes in reward-related brain areas in rats

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

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

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

Skeletal Mechanism Generation for Methyl Butanoate Combustion via Directed Relation Graph Based Methods

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

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

Design, synthesis and in vitro antitumor activity of 17β-estradiol-amino acid derivatives

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

Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves

Preliminary Study on Changes of Sleep EEG Power and Plasma Melatonin in Male Patients With Major Depressive Disorder After 8 Weeks Treatment

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

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

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