B. Du

发表

Theoretical study of the reaction mechanism and kinetics of the OH + trimethyl orthoformate ((CH3O)3CH) + O2 reaction

Weichao Zhang, B. Du, 2019, Computational and Theoretical Chemistry.

Theoretical study on the water-assisted reaction of NCO with HCHO.

Weichao Zhang, B. Du, 2013, The journal of physical chemistry. A.

Theoretical study of reaction mechanism for NCO + HCNO

Weichao Zhang, B. Du, C. Feng, 2007 .

The effect of (H2O)n (n = 1–2) or H2S on the hydrogen abstraction reaction of H2S by OH radicals in the atmosphere

Weichao Zhang, B. Du, 2015 .

Catalytic effect of water, formic acid, or sulfuric acid on the reaction of formaldehyde with OH radicals.

Weichao Zhang, B. Du, Zhenglong Qin, 2014, The journal of physical chemistry. A.

Rate constant and mechanism of the OH-initiated degradation of 3-penten-2-one in the atmosphere

Weichao Zhang, B. Du, 2022, Computational and Theoretical Chemistry.

Theoretical Investigations of the OH-Initialized Oxidation of 4-Methyl-3-Penten-2-One in the Atmosphere

Weichao Zhang, B. Du, 2022, ACS Earth and Space Chemistry.

Theoretical mechanistic study of OH-initiated atmospheric oxidation reaction of allyl alcohol in the presence of O2 and NO

Weichao Zhang, B. Du, 2011 .

An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran

Weichao Zhang, B. Du, L. Mu, 2009 .

Computational study on the mechanism for the reaction of OH with 2-methylfuran

Weichao Zhang, B. Du, L. Mu, 2008 .

Mechanism for the gas‐phase reaction between OH and 3‐methylfuran: A theoretical study

Weichao Zhang, B. Du, L. Mu, 2008 .

Theoretical investigation on mechanism for OH-initiated oxidation of CH2=C(CH3)CH2OH

Weichao Zhang, B. Du, C. Feng, 2009 .

Theoretical investigation of the reaction mechanism and properties for F+H2→HF+H reaction

Weichao Zhang, Zheng-yu Zhou, Hongwei Gao, 2001 .

Computational studies on the mechanisms for the gas-phase reaction between thiophene and NO3

Tao Wang, Weichao Zhang, B. Du, 2008 .

Atmospheric degradation mechanisms and kinetics for OH-initiated oxidation of trans-β-ocimene

Weichao Zhang, B. Du, 2022, Molecular Physics.

Kinetics and mechanisms of OH-induced 2-ethoxyethanol oxidation in the atmosphere

Weichao Zhang, B. Du, 2021, Structural Chemistry.

Quantum chemical study on the role of water in the reaction of singlet methoxysulfonyl nitrene CH3OS(O)2N

Weichao Zhang, B. Du, 2018, Chemical Physics Letters.

Catalytic effect of water, ammonia, formic acid, or sulfuric acid on the HCN + H2O reaction in the aqueous solution

Weichao Zhang, B. Du, Yingqiu Gu, 2020, Structural Chemistry.

Reaction of NH(3Σ−) radical with C2H4: A theoretical study

Weichao Zhang, B. Du, L. Mu, 2007 .

Mechanism for the gas-phase reaction between N3 and NO2 : A theoretical study

Weichao Zhang, B. Du, 2006 .

The gas-phase pyrolysis of methyl azidoformate in the absence and presence of water: a theoretical study

Weichao Zhang, B. Du, 2018, Molecular Physics.

Theoretical study on the influence of water for the tautomerization of 3-hydroxy-2(1H)-pyridinethione in the solution

Weichao Zhang, B. Du, 2016 .

Theoretical insight into the mechanisms of the gas-phase decomposition of azidoacetone

Weichao Zhang, B. Du, 2021 .

The mechanism of pyrolysis of 2-azidoethanol: A theoretical study

Weichao Zhang, B. Du, 2018, Computational and Theoretical Chemistry.

Ab initio quantum chemical studies of reaction mechanism for CH2CO with NCO

Weichao Zhang, B. Du, 2006 .

Ab initio quantum chemical studies of reaction mechanism for CN with CH2CO

Weichao Zhang, B. Du, 2006 .

Quantum chemical study of the mechanism for OH-initiated atmospheric oxidation reaction of (Z)-CF3CFCHF

Weichao Zhang, B. Du, 2012 .

Theoretical investigation of the reaction of CN with OCS

Weichao Zhang, B. Du, C. Feng, 2005 .

Ab initio quantum chemical studies of reaction mechanism for triplet CH2 with CN radical

Weichao Zhang, Zheng-yu Zhou, B. Du, 2005 .

Theoretical investigation of the potential energy surface for the N(4S) + C2H3 reaction via density functional theory and ab initio molecular electronic structure theory

Weichao Zhang, B. Du, L. Mu, 2007 .

Theoretical investigation of reaction mechanism for CH2(X̃3B1) with NO radical

Weichao Zhang, B. Du, C. Feng, 2004 .

The reaction mechanism study on the decarbonylation of 2-methyl-2-propenal assisted by hydrogen chloride, water, or sulfur acid

Weichao Zhang, B. Du, 2019, Structural Chemistry.

An ab initio dynamics study on the reaction of O(3P) with CH3CHCH2 (1A

Weichao Zhang, B. Du, C. Feng, 2007 .

Ab initio MO study of potential energy surface of NH2 with CN reaction

Weichao Zhang, B. Du, 2006 .

Study on the structure and property for the NO 2 +NO 2 − electron transfer system

Zheng-yu Zhou, Hongwei Gao, B. Du, 2001 .

Catalytic effect of water, water dimer, or formic acid on the tautomerization of nitroguanidine

Weichao Zhang, B. Du, 2014 .

Theoretical studies on the reaction mechanisms and rate constants for OH radicals with CF3CFCH2

Weichao Zhang, B. Du, C. Feng, 2009 .

Computational study on the mechanism and kinetics for reaction of CH3SH + H with water vapor

Weichao Zhang, B. Du, 2017 .

Ab initio quantum chemical studies of the reactions of CF3CFHO2 with HO2

Weichao Zhang, B. Du, 2007 .

Ab initio quantum chemical studies on the reactions of CF3O2 with OH

Weichao Zhang, B. Du, 2006 .

Atmospheric reaction of OH radicals with 2-methyl-3-buten-2-ol (MBO): Quantum chemical investigation on the reaction mechanism

Weichao Zhang, B. Du, 2012 .

Atmospheric oxidation chemistry of 1–methoxy 2–propyl acetate initiated by OH radicals: kinetics and mechanisms

Weichao Zhang, B. Du, 2019, Molecular Physics.

Quantum chemical study of the (Z)-2-penten-1-ol (HOCH2–CH = CHCH2CH3) + OH + O2 reactions

Weichao Zhang, B. Du, 2016 .

Theoretical Investigation on the Reaction between OH Radical and 4,4-Dimethyl-1-pentene in the Presence of O2.

Weichao Zhang, B. Du, 2015, The journal of physical chemistry. A.

Kinetics and mechanism of the water-assisted reaction of NCO with CH3OH: A quantum chemical study

Weichao Zhang, B. Du, 2014 .

The OH-initiated atmospheric oxidation of cyclopentene: A coupled-cluster study of the potential energy surface

Weichao Zhang, B. Du, 2013 .

Products and mechanism of the Cl-initiated atmospheric oxidation of furan: A theoretical study

Weichao Zhang, B. Du, 2011 .

Theoretical study on the reaction mechanism of the OH-initiated oxidation of CH2=C(CH3)CH2CH2OH

Weichao Zhang, B. Du, 2011 .

Mechanism for the gas-phase reaction between NO3 and furan: A theoretical study

Tao Wang, Weichao Zhang, B. Du, 2008 .

Density functional complete study of hydrogen bonding between the water molecule and the hydroxyl radical (H2O · HO)

Yuhui Qu, Hongwei Gao, A. Fu, 2002 .

Theoretical study on the mechanism for the reaction of OH with CH2CHCH2CH2OH

Weichao Zhang, B. Du, L. Mu, 2010 .

Kinetics, Products, and Mechanisms Study of the Atmospheric Degradation of (E)-4-Methoxy-3-buten-2-one with Hydroxyl Radicals

Weichao Zhang, B. Du, 2023, ACS Earth and Space Chemistry.

Mechanism and kinetic study for the reaction of allyl cyanide with Cl atom in the presence of O2

Weichao Zhang, B. Du, 2021, Computational and Theoretical Chemistry.

Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO2

Weichao Zhang, B. Du, 2020, Molecules.

Theoretical investigation of the isomers photolysis reaction for chlorine nitrate

Weichao Zhang, Zheng-yu Zhou, B. Du, 2003 .