Zhe Han

发表

Theoretical study of the inclusion complexation of TCDD with cucurbit[n]urils

Shunwei Chen, J. Zhan, Dongju Zhang, 2014 .

Adsorption of TCDD with 1-butyl-3-methylimidazolium dicyanamide ionic liquid: a combined molecular dynamics simulation and quantum chemistry study.

J. Zhan, Dongju Zhang, Wenxiao Pan, 2013, Chemosphere.

Mechanism of the sequential activation of two C–H bonds of a NHC N-methyl group on a triruthenium carbonyl cluster

C. Liu, Dongju Zhang, Jing Yan, 2015, Theoretical Chemistry Accounts.

Theoretical study of the mechanism of two successive N-methylene C–H bond activations on a phosphine-tethered N-heterocyclic carbene on a triruthenium carbonyl cluster

C. Liu, Dongju Zhang, Jing Yan, 2016 .

Theoretical elucidation of the potential possibility of synthesizing arylboronic acids via Rh-catalytic borylations of aryl acetylene and aryl ethylene

C. Liu, Dongju Zhang, Jing Yan, 2017 .

Theoretical investigation on the mechanism of glucose-to-fructose isomerization synergistically catalyzed by MnCl2 and [C4SO3HMIM][CH3SO3] in [BMIM]Cl

C. Liu, Dongju Zhang, Yaru Jing, 2019, New Journal of Chemistry.

Reexamination of the reaction of 4-chlorophenol with hydroxyl radical

C. Liu, Dongju Zhang, You-min Sun, 2009 .

Mechanistic insight into β‒O‒4 linkage cleavage of lignin model compound catalyzed by a SO3H-functionalized imidazolium ionic liquid: An unconventional E1 elimination

C. Liu, Dongju Zhang, Xueli Mu, 2019, Molecular Catalysis.

DFT study on synergetic Ir/Cu-metallaphotoredox catalyzed trifluoromethylation of aryl bromides

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2020 .

Mechanistic Insights into Formaldehyde-Blocked Lignin Condensation: A DFT Study

C. Liu, Dongju Zhang, Xueli Mu, 2019, The Journal of Physical Chemistry C.

Mechanistic Insight into Palladium-Catalyzed γ-C(sp3)-H Arylation of Alkylamines with 2-Iodobenzoic Acid: Role of the o-Carboxylate Group.

C. Liu, Dongju Zhang, Zhe Han, 2020, Inorganic chemistry.

New insight into the formation mechanism of PCDD/Fs from 2-chlorophenol precursor.

J. Zhan, C. Liu, Dongju Zhang, 2013, Environmental science & technology.

Theoretical elucidation of the dual role of [HMIm]BF4 ionic liquid as catalyst and extractant in the oxidative desulfurization of dibenzothiophene

C. Liu, Dongju Zhang, Zhe Han, 2015 .

A novel aluminum-doped carbon nanotubes sensor for carbon monoxide

Chengbu Liu, Ruoxi Wang, Dongju Zhang, 2007 .

Mechanistic insight into the hydrodesulfurization of thiophene by a molecular tungsten complex W(PMe3)4(η2-CH2PMe2)H

Jun Gao, Dongju Zhang, Zhe Han, 2014 .

Cleavage of the β–O–4 bond in a lignin model compound using the acidic ionic liquid 1-H-3-methylimidazolium chloride as catalyst: a DFT mechanistic study

L. Fu, Dongju Zhang, Youtao Zhu, 2018, Journal of Molecular Modeling.

A cosolvent pretreatment: effect of solvent–water on enzymatic hydrolysis of glucan, lignin structure, and dynamics

Hairui Ji, Pingli Lv, Yaqi Chu, 2021, Cellulose.

Interface behaviors of acetylene and ethylene molecules with 1-butyl-3-methylimidazolium acetate ionic liquid: a combined quantum chemistry calculation and molecular dynamics simulation study.

J. Zhan, Dongju Zhang, Zhe Han, 2012, ACS applied materials & interfaces.

Theoretical study on the mechanism of the side reaction of 1-butyl-3-methylimidazolium cation with D-glucose.

Dongju Zhang, Xiaofeng Wei, Zhe Han, 2013, Carbohydrate research.

Interface behaviors of acetylene and ethylene molecules with 1-butyl-3-methylimidazolium acetate ionic liquid: a combined quantum chemistry calculation and molecular dynamics simulation study.

J. Zhan, Dongju Zhang, Zhe Han, 2012, ACS applied materials & interfaces.