Hua Hou

发表

Development and application of a ReaxFF reactive force field for molecular dynamics of perfluorinatedketones thermal decomposition

Yue-E Liu, Jiayi Hu, Hua Hou, 2020 .

An improved B3LYP method in the calculation of organic thermochemistry and reactivity

Hua Hou, Baoshan Wang, Lilin Lu, 2013 .

A theoretical study of the thermal decomposition of fluoromethanethiol (CH2FSH)

Hua Hou, Baoshan Wang, Yueshu Gu, 1999 .

Mechanistic and Kinetic Investigations on the Thermal Unimolecular Reaction of Heptafluoroisobutyronitrile.

Baoshan Wang, Hua Hou, Hua Hou, 2018, The journal of physical chemistry. A.

Theoretical Investigations on the Decomposition Characteristic Gases of Fluoronitriles/CO2 Mixture After Arc Interruption

Yue-E Liu, Hua Hou, Baoshan Wang, 2020, 2020 IEEE Electrical Insulation Conference (EIC).

Electronic Structures and OH-Induced Atmospheric Degradation of CF3NSF2: A Potential Green Dielectric Replacement for SF6.

Hua Hou, Baoshan Wang, Kun Zhao, 2017, The journal of physical chemistry. A.

Computational study of the ion-molecule reactions involving fluxional cations: CH4+ + H2--> CH5+ + H and isotope effect.

Hua Hou, Baoshan Wang, 2005, The journal of physical chemistry. A.

Theoretical investigations on the SO2 + HO2 reaction and the SO2–HO2 radical complex

Hua Hou, Baoshan Wang, 2005 .

Hydride ion transfer from ruthenium(II) complexes in water: kinetics and mechanism.

Hua Hou, J. Muckerman, C. Creutz, 2010, Inorganic chemistry.

Theoretical study of the reaction of CH3C(2A″, ã4A2) with N2

Hua Hou, Baoshan Wang, Yueshu Gu, 2000 .

Theoretical Investigations on the Mechanisms for the Reactions of Sevoflurane Radicals[(CF3)2C(·)OCH2F, (CF3)2CHOC(·)HF] with O2and the OH· Radicals Regeneration

Hua Hou, Baoshan Wang, Weirong Wu, 2018 .

Theoretical characterizations of the mechanism for the dimerization of monosilicic acid in basic solution.

Hua Hou, Baoshan Wang, Zhen He, 2013, Physical chemistry chemical physics : PCCP.

Mechanism and rate constant of the reaction of atomic hydrogen with propyne

Hua Hou, Baoshan Wang, Yueshu Gu, 2000 .

Theoretical Investigations on the Hydroxyl-Initialized Oxidation of Hexafluoro-2-butyne in the Presence of Oxygen.

Hua Hou, Xiaojuan Yu, Xiaoyi Hu, 2022, The journal of physical chemistry. A.

Ab initio study of the elusive HO3(X2A″) radical and the HO(X2Π)+O2(X3Σg-)⇔HO3(X2A″) reaction

Hua Hou, Baoshan Wang, Li Li, 2013 .

Density Functional/All-Electron Basis Set Slab Model Calculations of the Adsorption/Dissociation Mechanisms of Water on α-Al2O3(0001) Surface

Hua Hou, Baoshan Wang, Yuming Zhao, 2011 .

Water-catalyzed mechanism for the pyrolysis of formic acid

Hua Hou, Baoshan Wang, Yueshu Gu, 1999 .

Mechanism of the OH+CH2CO reaction

Hua Hou, Baoshan Wang, Yueshu Gu, 2000 .

Theoretical Study of the Adsorption/Dissociation Reactions of Formic Acid on the α-Al2O3(0001) Surface

Hua Hou, Baoshan Wang, M. Ruan, 2014 .

Ab initio and RRKM studies of the unimolecular reactions of CH2XCHFO (X = H, F) radicals

Hua Hou, Baoshan Wang, Y. Gu, 2000 .

Mechanistic and Kinetic Investigations on Decomposition of Trifluoromethanesulfonyl Fluoride in the Presence of Water Vapor and Electric Field.

Hua Hou, Mi Zhang, Bao-Long Wang, 2023, The journal of physical chemistry. A.

Dielectric Failure of Hydrofluoroolefine HFO-1234ze in the Presence of Water Impurity

Hua Hou, Xiaojuan Yu, Xiaoyi Hu, 2022, 2022 IEEE Electrical Insulation Conference (EIC).

Theoretical Study of the Unimolecular Decomposition Mechanism of Chloromethanol

Hua Hou, Qingzhu Zhang, Bin Wang, 2010 .

Mechanistic insight into ligand‐promoted C–H alkenylation of arenes with alkynes: A computational study

Hua Hou, Tingzhen Li, Weirong Wu, 2020 .

Mechanistic insight into the Rh(III)-catalyzed cascade annulation of ο-ethynylanilines with diazo compounds towards Benzo[a]carbazoles

Hua Hou, Baoshan Wang, Weirong Wu, 2018, Journal of Organometallic Chemistry.

Prediction on the high‐energy density covalent organic frameworks with diamond network

Hua Hou, Baoshan Wang, 2021, International Journal of Quantum Chemistry.

Solvent‐dependent mechanistic aspects for the redox reaction of paraquat in basic solution

Hua Hou, Baoshan Wang, 2021, International Journal of Quantum Chemistry.

Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and a bulk TiC(001) surface: A density functional study

Ping Liu, Hua Hou, J. Rodríguez, 2003 .

Theoretical study of the hydrolysis of sulfur tetrafluoride

Hua Hou, Baoshan Wang, Chong-wen Zhou, 2013 .

The attractive quartet potential energy surface for the CH3C()+CO reaction

Hua Hou, Baoshan Wang, Y. Gu, 2000 .

Ab Initio/Density Functional Theory and Multichannel RRKM Calculations for the CH3O + CO Reaction

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

Ab initio study of the potential energy surface for the OH+CO-->H+CO2 reaction.

Baoshan Wang, Hua Hou, Hua Hou, 2006, The Journal of chemical physics.

Ab initio potential energy surface for the reaction of O(3P) with CH2F

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

Theoretical Investigation of the Reaction of Imidogen with Fulminic Acid.

Hua Hou, Baoshan Wang, Xinli Song, 2009, Journal of chemical theory and computation.

Ab Initio Mechanism and Multichannel RRKM−TST Rate Constant for the Reaction of Cl(2P) with CH2CO (Ketene)

Hua Hou, Y. Gu, A. Wang, 2000 .

Theoretical Study of the Role of a Catalytic Water Molecule in the Hydrolysis of Thionyl Tetrafluoride (SOF4).

Hua Hou, Baoshan Wang, Yanan Gao, 2020, The journal of physical chemistry. A.

Theoretical investigations on mechanisms and kinetics of the O+CF3I reaction

Hua Hou, Baoshan Wang, Chaohai Zhang, 2016 .

Computational study on the hydrolysis of halomethanes

Hua Hou, Baoshan Wang, M. Ruan, 2018, Theoretical Chemistry Accounts.

Stereo‐dependent dimerization, boiling points, diffusion coefficients, and dielectric constants of E/Z‐HFO‐1234ze

Hua Hou, Baoshan Wang, Xiaojuan Yu, 2021, International Journal of Quantum Chemistry.

An Optimized Force Field for Vapor-Liquid Equilibria and Molecular Dynamics Simulations of Eco-Friendly Dielectric Fluid Perfluoronitriles.

Hua Hou, Baoshan Wang, 2021, The journal of physical chemistry. B.

Theoretical Investigations on the Oxidation of Heptafluoro-iso-butyronitrile by Atomic Oxygen in the Dielectric Breakdown.

Hua Hou, Baoshan Wang, Xiaojuan Yu, 2020, The journal of physical chemistry. A.

Atmospheric Chemistry of Perfluoro-3-methyl-2-butanone [CF3C(O)CF(CF3)2]: Photodissociation and Reaction with OH Radicals.

Hua Hou, Baoshan Wang, Xiaojuan Yu, 2018, The journal of physical chemistry. A.

Double-Layered Composite Methods Extrapolating to Complete Basis-Set Limit for the Systems Involving More than Ten Heavy Atoms: Application to the Reaction of Heptafluoroisobutyronitrile with Hydroxyl Radical.

Baoshan Wang, Hua Hou, Hua Hou, 2017, The journal of physical chemistry. A.

New Mechanism for the Catalyzed Thermal Decomposition of Formic Acid

Hua Hou, Baoshan Wang, Y. Gu, 2000 .

Thermal decomposition of vegetable insulating oils from reactive molecular dynamics

Yue-E Liu, Hua Hou, Baoshan Wang, 2020 .

Extensive theoretical studies of a new energetic material: Tetrazino‐tetrazine‐tetraoxide (TTTO)

Hua Hou, Baoshan Wang, Xinli Song, 2009, J. Comput. Chem..

Ab initio study of the reaction of propionyl (C2H5CO) radical with oxygen (O2).

Hua Hou, Baoshan Wang, 2007, The Journal of chemical physics.

Mechanistic and kinetic study of the O + CH3OCH2 reaction and the unimolecular decomposition of CH3OCH2O.

Hua Hou, Baoshan Wang, Xinli Song, 2005, Physical chemistry chemical physics : PCCP.

Experimental and Theoretical Investigations on the Methyl−Methyl Recombination Reaction

Baoshan Wang, Hua Hou, Hua Hou, 2003 .

Theoretical study of the hydrogen bonded structures between H2S and OH radical

Hua Hou, Baoshan Wang, Y. Gu, 2000 .

Density functional study of the hydrogen bonding: H2O·HO

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

Theoretical study on cycloaddition reaction of epoxides with CO2 catalyzed by metal-porphrin complexes: Reaction mechanisms and structure impacts on catalytic activity

Yue-E Liu, Hua Hou, Baoshan Wang, 2020 .

Molecular Dynamics Simulations of Ice Growth from Supercooled Water When Both Electric and Magnetic Fields Are Applied

Hua Hou, Baoshan Wang, Hui Hu, 2012 .

Mechanistic and kinetic study of the CH3CO + O2 reaction.

Hua Hou, Baoshan Wang, Yuzhen Li, 2005, The Journal of chemical physics.

Theoretical study of the mechanisms and kinetics of the reactions of hydroperoxy (HO2) radicals with hydroxymethylperoxy (HOCH2O2) and methoxymethylperoxy (CH3OCH2O2) radicals.

Hua Hou, Baoshan Wang, Youxiang Shao, 2014, Physical chemistry chemical physics : PCCP.

Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitors.

Hua Hou, Mi Zhang, Yafeng Tian, 2023, Journal of biomolecular structure & dynamics.

ReaxFF reactive force field development and application for molecular dynamics simulations of heptafluoroisobutyronitrile thermal decomposition

Yue-E Liu, Jiayi Hu, Hua Hou, 2020 .

Prediction on dielectric strength and boiling point of gaseous molecules for replacement of SF6

Hua Hou, Xiaojuan Yu, Baoshan Wang, 2017, J. Comput. Chem..

Existence of hydrogen bonding between the hydroxyl radical and hydrogen peroxide: OH·H2O2

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

Mechanistic insight into the rhodium(III)‐catalyzed ortho‐selective coupling of diverse arenes with 4‐acyl‐1‐sulfonyltriazoles: A computational study

Yue-E Liu, Jiayi Hu, Hua Hou, 2020 .

Computational study of the reaction of fluorine atom with acetone.

Hua Hou, Baoshan Wang, Yuzhen Li, 2005, The journal of physical chemistry. A.

A systematic computational study on the reactions of HO2 with RO2: The HO2 + CH3O2(CD3O2) and HO2 + CH2FO2 reactions.

Baoshan Wang, Hua Hou, Hua Hou, 2005, The journal of physical chemistry. A.

Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases

Hua Hou, Bao-Long Wang, Yafeng Tian, 2023, International journal of molecular sciences.

Computational study of the geometry and properties of the metcars Ti8C12 and Mo8C12

Hua Hou, Ping Liu, Ping Liu, 2003 .

Theoretical Investigation of the Reaction of O(3P) with CH2Cl

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

Theoretical Study of the Reaction of Atomic Hydrogen with Acetonitrile

Hua Hou, Baoshan Wang, Y. Gu, 2001 .

FEATURES OF THE POTENTIAL ENERGY SURFACE FOR THE DECOMPOSITION OF CH3OF

Hua Hou, Baoshan Wang, Y. Gu, 1999 .

THEORETICAL INVESTIGATION OF THE REACTIONS OF O(3P) WITH CH3F AND CH2F2

Baoshan Wang, Hua Hou, Yueshu Gu, 1999 .