Baoshan Wang

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.

Optimal conditions for the preparation of superhydrophobic surfaces on al substrates using a simple etching approach

Baoshan Wang, Q. Luo, M. Ruan, 2012 .

Computational Study of the Decomposition of Cyclotetramethylenetetranitramine under Impact, Friction, and Electric Fields

Baoshan Wang, Miao Li, Hui Hu, 2015 .

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 .

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

Hua Hou, Baoshan Wang, Yueshu Gu, 2000 .

Influence of glucose as a contaminant on discharge characteristics of HVAC insulator

Chengke Zhou, Baoshan Wang, Cuiru Yang, 2016, IEEE Transactions on Dielectrics and Electrical Insulation.

Electrosyntheses and characterization of polyalkylenedioxybenzenes

Baoshan Wang, Jingkun Xu, Yuzhen Li, 2008 .

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 .

OH yields for C2H5CO + O2 at low pressure: Experiment and theory

Baoshan Wang, S. Dóbé, J. Zádor, 2010 .

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 study of oxygen molecules adsorption on M3C12S12 (M = Co, Rh)—Class 2D metal – organic frameworks

Baoshan Wang, Jun-ming Liu, M. Ruan, 2019, Chemical Physics Letters.

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 .

Comparison of interactions between aluminium hydride oxide surfaces and three energetic plasticizers: DFT calculations

Baoshan Wang, Lu Lai, Lilin Lu, 2019, Applied Surface Science.

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 .

Multichannel reaction of C2Cl3 + O2 studied by time-resolved Fourier transform infrared emission spectroscopy.

Shaolei Zhao, Kunhui Liu, Hongmei Su, 2007, The journal of physical chemistry. A.

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

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

Theoretical study of corrosion inhibition on copper in transformer oil

Baoshan Wang, W. Su, Yaohong Zhao, 2016, 2016 IEEE Electrical Insulation Conference (EIC).

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

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

Theoretical study on the gas phase reaction of acrylonitrile with a hydroxyl radical.

Baoshan Wang, Jingyu Sun, Rongshun Wang, 2011, Physical chemistry chemical physics : PCCP.

Ionic covalent organic frameworks for highly effective catalysis

Baoshan Wang, Yanan Gao, L. Yu, 2018, Chinese Journal of Catalysis.

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.

3D Porphyrin-Based Covalent Organic Frameworks.

Baoshan Wang, Cheng Wang, Huimin Ding, 2017, Journal of the American Chemical Society.

A Pyrene-Based, Fluorescent Three-Dimensional Covalent Organic Framework.

Guiqing Lin, Huimin Ding, Baoshan Wang, 2016, Journal of the American Chemical Society.

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.

Metal–organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties

Baoshan Wang, Y. Gong, Tao Wu, 2012 .

A 2D porous porphyrin-based covalent organic framework for sulfur storage in lithium–sulfur batteries

Baoshan Wang, X. Ai, Hai Xu, 2016 .

A tetrathiafulvalene-based electroactive covalent organic framework.

W. Xu, Deqing Zhang, Guanxin Zhang, 2014, Chemistry.

Mechanisms of Modulation of Calcium Phosphate Pathological Mineralization by Mobile and Immobile Small-Molecule Inhibitors.

M. Li, Baoshan Wang, Lijun Wang, 2018, The journal of physical chemistry. B.

Initial Unimolecular Decomposition of 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan from Quantum Mechanics and ReaxFF Molecular Dynamics Simulation

Baoshan Wang, Xiaocong Wang, Bozhou Wang, 2022, FirePhysChem.

Theoretical study of the hydrolysis of sulfur tetrafluoride

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

Phosphoric acid functionalized magnetic sorbents for selective enrichment of TiO2 nanoparticles in surface water followed by inductively coupled plasma mass spectrometry detection.

Baoshan Wang, M. He, Bin Hu, 2019, The Science of the total environment.

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

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

Theoretical calculations on the reaction of ethylene with oxygen

Baoshan Wang, B. Ruscic, Hou Hua, 2005 .

Reaction of vinyl radical with O2 studied by time-resolved infrared emission spectroscopy

Baoshan Wang, Wenhui Feng, 2002 .

The gaseous reaction of vinyl radical with oxygen

Baoshan Wang, F. Kong, Yong He, 2001 .

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.

Theoretical study on mechanisms and kinetics of NCCO + O2 reaction.

Baoshan Wang, Rongshun Wang, Yizhen Tang, 2008, The journal of physical chemistry. A.

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.

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.

Insulation condition monitoring of epoxy spacers in GIS using a decomposed gas CS2

Baoshan Wang, Wenjun Zhou, Jianhui Yu, 2013, IEEE Transactions on Dielectrics and Electrical Insulation.

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

Hua Hou, Baoshan Wang, Chaohai Zhang, 2016 .

The v-v energy transfer of highly vibrationally excited states (I)

Baoshan Wang, F. Kong, Yong He, 1998 .

The v-v energy transfer of highly vibrationally excited states (II)

Qiang Li, Baoshan Wang, F. Kong, 1998 .

Hydrolytically Stable Tricoordinate Chiral Bicyclo[4.4.0]diboronic Ester: Synthesis, Structural Characterization, and Theoretical Investigation†

Baoshan Wang, P. Xie, Yan Zhou, 2006 .

An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical.

Adam Luxon, Baoshan Wang, C. Parish, 2018, Journal of Physical Chemistry A.

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.

Preparation and anti-icing behavior of superhydrophobic surfaces on aluminum alloy substrates.

Baoshan Wang, M. Ruan, F. Ma, 2013, Langmuir : the ACS journal of surfaces and colloids.

An AIEgen-based 3D covalent organic framework for white light-emitting diodes

Baoshan Wang, Junliang Sun, Chuluo Yang, 2018, Nature Communications.

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 .

Detection of intense partial discharge of epoxy insulation in sf6 insulated equipment using carbonyl sulfide

Yu Zheng, Wenjun Zhou, Baoshan Wang, 2016, IEEE Transactions on Dielectrics and Electrical Insulation.

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 .

Multilevel Vibrational−Vibrational (V−V) Energy Transfer from CO(v) to O2 and CO2

Baoshan Wang, F. Kong, Y. Gu, 1998 .

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 .

Improving pervaporation performance of PDMS membranes by interpenetrating polymer network for recovery of bio-butanol

Baoshan Wang, Ziye Wu, Houbin Li, 2019 .

Theoretical study of perfluorodecyltrimethoxysilane and polyethylene glycol adsorption/dissociation reactions on dry and hydrated Al2O3(0 0 0 1) surface

Baoshan Wang, M. Ruan, Lilin Lu, 2020 .

Differential molecular information of maurotoxin peptide recognizing IKCa and Kv1.2 channels explored by computational simulation

S. Qiu, Baoshan Wang, Yingliang Wu, 2011, BMC Structural Biology.

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 .

Experimental and Theoretical Study on the OH-Reaction Kinetics and Photochemistry of Acetyl Fluoride (CH3C(O)F), an Atmospheric Degradation Intermediate of HFC-161 (C2H5F).

Baoshan Wang, M. Farkas, S. Dóbé, 2015, The journal of physical chemistry. A.

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.

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 .

An AIEgen-based 3D covalent organic framework for white light-emitting diodes

Guohua Xie, Guiqing Lin, Huimin Ding, 2018, Nature Communications.

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.

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 .

EXPERIMENTAL AND THEORETICAL INVESTIGATIONS ON THE ELECTROCHEMICAL POLYMERIZATION OF ORTHO -DISUBSTITUTED BENZENE: EXPERIMENTAL AND THEORETICAL INVESTIGATIONS ON THE ELECTROCHEMICAL POLYMERIZATION OF ORTHO -DISUBSTITUTED BENZENE

Baoshan Wang, Jingkun Xu, Z. Le, 2009 .

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

Baoshan Wang, Hua Hou, Yueshu Gu, 1999 .