Dongju Zhang

发表

Charge Transfer Database for Bio-molecule Tight Binding Model Derived from Thousands of Proteins

Fang Liu, Jun Gao, Likai Du, 2018, 1802.07873.

Theoretical elucidation of the origin of surface‐enhanced Raman spectra of PCB52 adsorbed on silver substrates

J. Zhan, Dongju Zhang, Wenxiao Pan, 2014 .

Investigation on the inclusions of PCB52 with cyclodextrins by performing DFT calculations and molecular dynamics simulations.

P. Liu, J. Zhan, Dongju Zhang, 2010, The journal of physical chemistry. A.

A New Pathway for Activation of C–C and C–H Bonds by Transition Metals in the Gas Phase

Rongxiu Zhu, Dongju Zhang, Ruoxi Wang, 2005 .

Density Functional Study on the Reaction Mechanism for the Reaction of Ni+ with Ethane

C. Liu, Dongju Zhang, Yongjun Liu, 2010 .

A comparative theoretical study of the reactivities of the Al+ and Cu+ ions toward methylamine and dimethylamine

Dongju Zhang, Peng Liu, Jianqiang Liu, 2010 .

Theoretical study of the reaction of titanium ion with ethane Structure, mechanism, and potential energy surface

C. Liu, Dongju Zhang, Ruoxi Wang, 2005 .

Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models

F. Liu, Jun Gao, Likai Du, 2017, Scientific Reports.

How and why a [Bu4P][Im]/CO2 system efficiently catalyzes the hydration of propargylic alcohols to α-hydroxy ketones: electrostatically controlled reactivity

C. Liu, Dongju Zhang, Xueli Mu, 2017 .

Theoretical study on the interactions between methanol and imidazolium-based ionic liquids

C. Liu, Dongju Zhang, Xueying Zhu, 2011, Journal of molecular modeling.

Charge Transfer in Classical Molecular Dynamics Simulations of Met-enkephalin: Improving Traditional Force Field with Data Driven Models

Jun Gao, Likai Du, Tiange Dong, 2018, 1802.10358.

Electronic Structure Topology Associated Domain is Useful to Minimize the Uncertainty of QM/MM Boundary Charge Transfer Effects

Fang Liu, Likai Du, Dongju Zhang, 2018 .

Electronic Structure Topology Associated Domain and Its Physical Implication to Minimize Hybrid QM/MM Boundary Charge Transfer Effects

Jun Gao, Likai Du, Dongju Zhang, 2018, 1804.04939.

Modeling interactions between a β‐O‐4 type lignin model compound and 1‐allyl‐3‐methylimidazolium chloride ionic liquid

C. Liu, Dongju Zhang, Youtao Zhu, 2017, Biopolymers.

New understanding of the formation of PCDD/Fs from chlorophenol precursors: a mechanistic and kinetic study.

Jun Gao, J. Zhan, C. Liu, 2014, The journal of physical chemistry. A.

DFT Study on the Formation Mechanism of Normal and Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adducts from the Reaction of an Imidazolium-Based Ionic Liquid with CO2.

Jun Gao, C. Liu, Dongju Zhang, 2017, The journal of physical chemistry. B.

Theoretical Study of the CO Oxidation Mediated by Au3+, Au3, and Au3−: Mechanism and Charge State Effect of Gold on Its Catalytic Activity

Xiaohong Xu, F. Wang, Yi Ding, 2009 .

Theoretical study of the Michael addition of acetylacetone to methyl vinyl ketone catalyzed by the ionic liquid 1‐butyl‐3‐methylimidazolium hydroxide

C. Liu, Dongju Zhang, Changqiao Zhang, 2010 .

Density functional theory study of BnC (n = 1-7) clusters

Rongxiu Zhu, C. Liu, Dongju Zhang, 2007 .

Mechanistic picture of the redox-neutral C C bond cleavage in 1,3-dilignol lignin model compound catalyzed by [Ru(Cl)(H)(PPh3)3]/triphos

Rongxiu Zhu, Dongju Zhang, Xia Zhao, 2019, Molecular Catalysis.

Performance of density functional theory on the anisotropic halogen···halogen interactions and potential energy surface: Problems and possible solutions

Fang Liu, Jun Gao, Likai Du, 2016 .

Aptamer-Based K(+) Sensor: Process of Aptamer Transforming into G-Quadruplex.

Yunchao Li, L. Fan, Xiaohong Li, 2016, The journal of physical chemistry. B.

Theoretical evaluation of the configurations and Raman spectra of 209 polychlorinated biphenyl congeners.

J. Zhan, S. Ni, Dongju Zhang, 2011, Chemosphere.

Theoretical evidence on O–N type smiles rearrangement mechanism: a computational study on the intramolecular cyclization of N‐methyl‐2‐(2‐chloropyridin‐3‐yloxy)‐acetamide anion

C. Liu, Dongju Zhang, Chen Ma, 2008 .

Theoretical study on the enantioselective α-amination reaction of 1,3-dicarbonyl compounds catalyzed by a bifunctional-urea

Rongxiu Zhu, C. Liu, Dongju Zhang, 2007 .

A DFT study on the mechanism and regioselectivity of the tandem O-nitroso aldol/Michael reaction of nitrosobenzene and cyclohexenone

Rongxiu Zhu, C. Liu, Dongju Zhang, 2007 .

A density functional theory study of NO reduction promoted by Au4+ and Au4

C. Liu, Dongju Zhang, Ying-ying Wang, 2011, 2011 International Conference on Remote Sensing, Environment and Transportation Engineering.

Electrocatalytic activity of bimetallic platinum-gold catalysts fabricated based on nanoporous gold.

Houyi Ma, Jintao Zhang, Dongju Zhang, 2008, Physical chemistry chemical physics : PCCP.

DFT study of the adsorption of 2,3,7,8-tetrachlorodibenzo-p-dioxin on pristine and Ni-doped boron nitride nanotubes.

C. Liu, Dongju Zhang, Ruoxi Wang, 2017, Chemosphere.

Core-shell superparamagnetic Fe3O4@β-CD composites for host-guest adsorption of polychlorinated biphenyls (PCBs).

P. Liu, J. Zhan, Dong-mei Zhou, 2015, Journal of colloid and interface science.

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

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

Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubes

Rongxiu Zhu, Dongju Zhang, Ruoxi Wang, 2014, Journal of Molecular Modeling.

The germanium-doped boron nitride nanotube serving as a potential resource for the detection of carbon monoxide and nitric oxide

C. Liu, Dongju Zhang, Ruoxi Wang, 2014 .

One-pot synthesis of dendritic gold nanostructures in aqueous solutions of quaternary ammonium cationic surfactants: effects of the head group and hydrocarbon chain length.

Dongju Zhang, Liqiang Zheng, Han Jia, 2012, ACS applied materials & interfaces.

A theoretical elucidation: why does a SO3H-functionalized imidazolium-based ionic liquid catalyze the conversion of 5-hydroxymethylfurfural to levulinic acid?

Dongju Zhang, Yaru Jing, Chengbu Liu, 2017 .

Theoretical Explanation for How SO3H-Functionalized Ionic Liquids Promote the Conversion of Cellulose to Glucose.

C. Liu, Dongju Zhang, Jinghua Li, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Geometrical and electronic structures of the dication and ion pair in the geminal dicationic ionic liquid 1,3-bis[3-methylimidazolium-yl]propane bromide

C. Liu, Dongju Zhang, Changqiao Zhang, 2009 .

A New Family of Heterofullerenes: Stoichiometric TiO2 Nanoclusters

C. Liu, Dongju Zhang, Jianqiang Liu, 2009 .

On the origin of the visible-light activity of titanium dioxide doped with carbonate species.

Y. Duan, S. Yuan, A. Fu, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

HYDROGEN BOND NETWORK OF 1-ALKYL-3-METHYLIMIDAZOLIUM IONIC LIQUIDS: A NETWORK THEORY ANALYSIS

Jun Gao, C. Liu, Dongju Zhang, 2012 .

Theoretical study on the asymmetric Michael addition of cyclohexanone with trans-beta-nitrostyrene catalyzed by a pyrrolidine-type chiral ionic liquid.

C. Liu, Dongju Zhang, Changqiao Zhang, 2010, Chirality.

A Novel One-pot Synthesis of Pyrroloquinoline and Pyrroloisoquinoline Derivatives in Ionic Liquid

Yan Ren, Dongju Zhang, Chen Ma, 2007 .

Theoretical study for pyridinium-based ionic liquid 1-ethylpyridinium trifluoroacetate: synthesis mechanism, electronic structure, and catalytic reactivity.

C. Liu, Dongju Zhang, Xueying Zhu, 2011, The journal of physical chemistry. A.

Charge Transfer in Classical Molecular Dynamics Simulations of Met-enkephalin: Improving Traditional Force Field with Data Driven Models

Jun Gao, Likai Du, Tiange Dong, 2018, 1802.10358.

Theoretical study on the Diels–Alder reaction of cyclopentadiene with methacrolein catalyzed by diethylimidazolium cation

C. Liu, Dongju Zhang, Chen Ma, 2007 .

A simple and convenient method to synthesize N-[(2-hydroxyl)-propyl-3-trimethylammonium] chitosan chloride in an ionic liquid.

Xiaodeng Yang, Tianduo Li, Dongju Zhang, 2015, Carbohydrate polymers.

Mechanistic Insights into Hydroformylation Catalyzed by Cationic Cobalt(II) Complexes: In Silico Modification of the Catalyst System

Xiaotai Wang, Dongju Zhang, Jiandong Guo, 2020 .

Theoretical Elucidation of Glucose Dehydration to 5-Hydroxymethylfurfural Catalyzed by a SO3H-Functionalized Ionic Liquid.

C. Liu, Dongju Zhang, Jinghua Li, 2015, The journal of physical chemistry. B.

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.

Data Driven Charge Transfer Atlas Provides Topological View of Electronic Structure Properties for Arbitrary Proteins Complexes

Likai Du, Hongwei Wang, Dongju Zhang, 2018, 1802.05192.

Adsorption behaviors of monomer and dimer of formic acid on Pt (111) in the absence and presence of water

Rongxiu Zhu, Dongju Zhang, Y. Qi, 2014, Journal of Molecular Modeling.

Enantio- and Regioselective Ni-Catalyzed para-C-H Alkylation of Pyridines with Styrenes via Intermolecular Hydroarylation.

Dongju Zhang, Shi‐Liang Shi, Xia Zhao, 2022, Journal of the American Chemical Society.

Density functional studies of the reactivity in the C–F bond activation of fluoromethane by bare lanthanum monocation

C. Liu, Dongju Zhang, Changqiao Zhang, 2001 .

Theoretical studies on the electronic spectra and second-order nonlinear optical properties of N-methyl-2-(2′-thiophene)-pyrrolo[3,4]C60

Dongju Zhang, Yongjun Liu, Haiquan Hu, 2001 .

Theoretical investigation of the oxidation pathways of the Cl-initiated reaction of 2-methyl-3-buten-2-ol

Weichao Zhang, Dongju Zhang, 2012 .

The archaeology of archaic and early modern humans in northwest China

R. Bettinger, Dongju Zhang, L. Barton, 2008 .

Exploration and Practice on Construction of Molecular Simulation Experiment Course

Shiling Yuan, Dongju Zhang, Heng Zhang, 2019, University Chemistry.

Theoretical study on the effective dehydrochlorination of 1,2-dichloroethane catalyzed by tetraalkylphosphonium chlorides: electrostatically controlled reactivity

C. Liu, Dongju Zhang, Xueli Mu, 2018 .

Hot Hole Enhanced Synergistic Catalytic Oxidation on Pt‐Cu Alloy Clusters

Xiaohong Xu, Hong Liu, Xiaochun Gao, 2017, Advanced science.

Fe3O4@β-CD nanocomposite as heterogeneous Fenton-like catalyst for enhanced degradation of 4-chlorophenol (4-CP)

P. Liu, J. Zhan, Dong-mei Zhou, 2016 .

Density functional theory study on the geometrical and electronic structures of a new thinnest boron nanotube

Rongxiu Zhu, C. Liu, Dongju Zhang, 2006 .

Theoretical prediction of a novel inorganic fullerene-like family of silicon–carbon materials

C. Liu, Dongju Zhang, Ruoxi Wang, 2005 .

Geometrical structures and electronic properties of AlN fullerenes: A comparative theoretical study of AlN fullerenes with BN and C fullerenes

Ruiqin Q. Zhang, Dongju Zhang, Ruiqin Q. Zhang, 2005 .

Structures of Au/Pt bimetallic clusters: homogeneous or segregated?

P. Liu, F. Wang, Dongju Zhang, 2011, Journal of molecular modeling.

The electron-transfer reaction for Co(H 2 O) 6 2+/3+

Yuxiang Bu, C. Liu, Dongju Zhang, 2001 .

Theoretical study of self‐exchange electron‐transfer reactions for the M(H2O)\documentclass{article}\pagestyle{empty}\begin{document}$^{2+/3+}_{6}$\end{document} (M = V, Cr, Mn, and Fe) systems

C. Liu, Dongju Zhang, D. Feng, 2000 .

Charge-Transfer Knowledge Graph among Amino Acids Derived from High-Throughput Electronic Structure Calculations for Protein Database

Jun Gao, Likai Du, Hongwei Wang, 2018, ACS omega.

Boosting Fast and Stable Alkali Metal Ion Storage by Synergistic Engineering of Oxygen Vacancy and Amorphous Structure

Jian Yang, X. Gu, P. Dai, 2021, Advanced Functional Materials.

Reorganization criteria and their effects on inner-sphere barriers for transition metal redox pairs M(H2O)62+/3+(M = V, Cr, Mn, Fe and Co)

C. Liu, Dongju Zhang, Chengbu Liu, 2002 .

Effect of structural and chemical parameters on magnetic coupling in hydroxo-bridged Cu(II) dimer

C. Liu, Dongju Zhang, Yongjun Liu, 2001 .

Theoretical elucidation of Au(I)-catalyzed cycloisomerizations of cycloalkyl-substituted 1,5-enynes: 1,2-alkyl shift versus C-H bond insertion products.

Jianhua Zhou, C. Liu, Dongju Zhang, 2010, The journal of physical chemistry. A.

Mechanism study of the gold-catalyzed cycloisomerization of alpha-aminoallenes: oxidation state of active species and influence of counterion.

Rongxiu Zhu, Dongju Zhang, C. Liu, 2010, The journal of physical chemistry. A.

Theoretical elucidation on the regio-, diastereo-, and enantio-selectivities of chiral primary-tertiary diamine catalyst for asymmetric direct aldol reactions of aliphatic ketones.

Jun Gao, Rongxiu Zhu, Dongju Zhang, 2012, The journal of physical chemistry. A.

Theoretical investigation on the chiral diamine-catalyzed epoxidation of cyclic enones: mechanism and effects of cocatalyst.

Rongxiu Zhu, Dongju Zhang, Ping Lv, 2012, The journal of physical chemistry. A.

Synthesis and structures of two novel indolo[3,2-b] carbazole derivatives

X. Tao, M. Jiang, Yan Ren, 2009 .

Theoretical Insight into the Mechanism and Selectivity in Manganese-Catalyzed Oxidative C(sp3)–H Methylation

Rongxiu Zhu, Dongju Zhang, Yiying Yang, 2022, ACS Catalysis.

Transition metal-free one-pot synthesis of fused 1,4-thiazepin-5(4H)-ones and theoretical study of the S-N type smiles rearrangement process.

Xiao Tan, Shunwei Chen, Dongju Zhang, 2014, The Journal of organic chemistry.

Mechanism and Origin of MAD-Induced Ni/NHC Catalyzed Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes.

Rongxiu Zhu, Dongju Zhang, Xia Zhao, 2020, Chemistry.

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.

Site- and Enantiodifferentiating C(sp3)-H Oxidation Enables Asymmetric Access to Structurally and Stereochemically Diverse Saturated Cyclic Ethers.

Dongju Zhang, Lei Liu, Shu-tao Sun, 2020, Journal of the American Chemical Society.

Influence of structural parameters of Cu2O2 core on magnetic coupling in alkoxo-bridged Cu(II) binuclear system

Zhi-da Chen, C. Liu, Dongju Zhang, 2000 .

Theoretical study on magneto-structural correlation in trinuclear copper(II) complexes with the oxamato bridge

C. Liu, Dongju Zhang, You-min Sun, 2005 .

Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in Synthesis of Benzo-Heterocycles from o-Alkynylbenzamides Catalyzed by Gold and Platinum Complexes.

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2019, The Journal of organic chemistry.

Theoretical study of the bifunctional-urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins: reaction mechanism and enantioselectivity

Rongxiu Zhu, C. Liu, Dongju Zhang, 2006 .

Mechanistic study on the Rh(III)-catalyzed synthesis of indolines via selective O-atom transfer of arylnitrones: Origins of the regioselectivity and the improved yield with pivalic acid additive

C. Liu, Dongju Zhang, Hong-Lei Wang, 2018 .

A novel DBU-promoted S–N-type Smiles rearrangement reaction under controlled microwave heating

Dongju Zhang, Chen Ma, K. Ding, 2007 .

Theoretical Insight into the Au(I)-Catalyzed Intermolecular Condensation of Homopropargyl Alcohols with Terminal Alkynes: Reactant Stoichiometric Ratio-Controlled Chemodivergence.

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2018, The Journal of organic chemistry.

One-pot synthesis of benzo[1,4]thiazin-3(4H)-ones and a Theoretical Study of the S-N type Smiles rearrangement mechanism.

Dongju Zhang, Jiong Jia, Chen Ma, 2012, The Journal of organic chemistry.

Magnetic coupling mechanism in singly bridged binuclear systems

C. Liu, Dongju Zhang, Yongjun Liu, 2001 .

Insight into the mechanism of the Michael addition of malononitrile to α,β-unsaturated imides catalyzed by bifunctional thiourea catalysts

Rongxiu Zhu, Dongju Zhang, Guixiu Wang, 2008 .

Theoretical study of the mechanism for the Markovnikov addition of imidazole to vinyl acetate catalyzed by the ionic liquid [bmIm]OH.

Fang Wang, Chengbu Liu, Dongju Zhang, 2007, The journal of physical chemistry. A.

Theoretical Insight into the Mechanism of CO Inserting into the N–H Bond of the Iron(II) Amido Complex (dmpe)2Fe(H)(NH2): An Unusual Self-Promoted Reaction

C. Liu, Dongju Zhang, Siwei Bi, 2012 .

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 .

Mechanistic Investigation of Au(III)-Catalyzed Cycloisomerizations of N -Propargylcarboxamides

Peng Liu, Peng Liu, Dongju Zhang, 2019, European Journal of Organic Chemistry.

Theoretical Insight into Ligand- and Counterion-Controlled Regiodivergent Reactivity in Synthesis of Borylated Furans: 1,2-H vs 1,2-B Migration

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2018, ACS Catalysis.

DFT mechanistic study on nickel/ IPr‐catalyzed aldehyde–alkyne reductive couplings with trialkylsilane/dialkylsilane

Dongju Zhang, Aili Feng, Xuexiang Ma, 2022, Journal of the Chinese Chemical Society.

Dft Calculations Rationalize Regioselectivity and Chemodivergence in Nickel-Catalyzed Couplings of Aldehyde, Alkyne, and Dialkylsilane/Trialkylsilane

Dongju Zhang, Chengbu Liu, Jihong Xu, 2022, SSRN Electronic Journal.

Decisive effects of solvent and substituent on the reactivity of Ru-catalyzed hydrogenation of ethyl benzoate to benzyl alcohol and ethanol: A DFT study

C. Liu, Dongju Zhang, Hong-Lei Wang, 2017 .

Selective activation of C-F and C-H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex.

Xiaoyan Li, Wen-yuan Xu, Dongju Zhang, 2013, Dalton transactions.

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 .

New insight into Cu-catalyzed borocarbonylative coupling reactions of alkenes with alkyl halides

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2023, Journal of Catalysis.

Computational Study on Why and How of Nonconventional meta-C-H Arylation of Electron-Rich Arenes via Pd/Quinoxaline-based Ligand/Norbornene Cooperative Catalysis.

Rongxiu Zhu, Dongju Zhang, Xia Zhao, 2020, The Journal of organic chemistry.

Theoretical description for the Rh(I)-catalyzed borylation mechanism of a typical aryl cyanide

Dongju Zhang, Siwei Bi, Jing Yan, 2015 .

Theoretical evidence for the reaction of N-methyl-2-pyrrolidinone with carbon disulfide

Shiling Yuan, Dongju Zhang, Xue-wen Fu, 2006 .

DFT study of Ni/NHC-catalyzed C–H alkylation of fluoroarenes with alkenes to synthesize fluorotetralins: mechanism, chemoselectivity of C–H vs. C–F bond activation, and regio- and enantioselectivities of C–H bond activation

Dongju Zhang, Xia Zhao, Chengbu Liu, 2021 .

Computational study on the 1,3-diyne synthesis from gold(i)-catalyzed alkynylation of terminal alkynes with alkynyl hypervalent iodine reagents under the aid of a silver complex and 1,10-phenanthroline

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2019, Catalysis Science & Technology.

Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective

S. Wheeler, Cuihuan Geng, Rongxiu Zhu, 2020 .

Computational Clarification of Synergetic RuII/CuI-Metallaphotoredox Catalysis in C(sp3)–N Cross-Coupling Reactions of Alkyl Redox-Active Esters with Anilines

Rongxiu Zhu, Dongju Zhang, Yiying Yang, 2020 .

Theoretical study on the origin of enantioselectivity in the primary amine-Bronsted acid catalyzed epoxidation of cyclic enones

S. Wheeler, Rongxiu Zhu, C. Liu, 2013 .

DFT Study on the Mechanism of Formic Acid Decomposition by a Well-Defined Bifunctional Cyclometalated Iridium(III) Catalyst: Self-Assisted Concerted Dehydrogenation via Long-Range Intermolecular Hydrogen Migration

C. Liu, Dongju Zhang, Jinghua Li, 2016 .

DFT Mechanistic Study of IrIII/NiII-Metallaphotoredox-Catalyzed Difluoromethylation of Aryl Bromides.

Chen-Tai Liu, Dongju Zhang, Xia Zhao, 2021, Inorganic chemistry.

Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes

Dongju Zhang, Guang Chen, Siwei Bi, 2014 .

Theoretical Insight into the Mechansim and Origin of Ligand-Controlled Regioselectivity in Homogenous Gold-Catalyzed Intramolecular Hydroarylation of Alkynes.

Rongxiu Zhu, C. Liu, Dongju Zhang, 2018, The Journal of organic chemistry.

Mechanism of Cobalt-Catalyzed Direct Aminocarbonylation of Unactivated Alkyl Electrophiles: Outer-Sphere Amine Substitution To Form Amide Bond

Xiaotai Wang, Dongju Zhang, Jiandong Guo, 2020 .

Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes

Dongju Zhang, Siwei Bi, Yuxia Liu, 2012 .

New Insight into the Formation Mechanism of Imidazolium-Based Ionic Liquids from N-Alkyl Imidazoles and Halogenated Hydrocarbons: A Polar Microenvironment Induced and Autopromoted Process.

C. Liu, Dongju Zhang, N. Jiang, 2017, The journal of physical chemistry. A.

Theoretical study of the reaction of chitosan monomer with 2,3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid.

Xiaodeng Yang, C. Liu, Dongju Zhang, 2016, Carbohydrate polymers.

Theoretical Insight into the Conversion Mechanism of Glucose to Fructose Catalyzed by CrCl2 in Imidazolium Chlorine Ionic Liquids.

Jun Gao, C. Liu, Dongju Zhang, 2017, The journal of physical chemistry. B.

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.

Novel insight into the mechanism of the reaction of Fe+ with ethane

W. Bian, C. Liu, Dongju Zhang, 2003 .

A THEORETICAL INVESTIGATION OF THE INTERACTIONS BETWEEN CELLULOSE AND 1-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE

Jinxin Guo, Chengbu Liu, Dongju Zhang, 2010 .

Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate: [3 + 2]- versus [2 + 2]-cycloaddition products.

C. Liu, Dongju Zhang, Siwei Bi, 2013, Organic & biomolecular chemistry.

Computational study on carbide and nitride treatments of w-AlN(0001) substrate

Ruiqin Q. Zhang, W. Chan, K. Chan, 2004 .

Stability and electronic structure of AlN nanotubes

Dongju Zhang, Yueyuan Y. Xia, L. Mei, 2003 .

Theoretical prediction on aluminum nitride nanotubes

Ruiqin Q. Zhang, Dongju Zhang, Ruiqin Q. Zhang, 2003 .

Naphthalene formation pathways from phenyl radical via vinyl radical (C2H3) and vinylacetylene (C4H4): computational studies on reaction mechanisms and kinetics

Mingrui Wei, Guanlun Guo, Dongju Zhang, 2017 .

Prediction of redox potentials of adrenaline and its supramolecular complex with glycine: theoretical and experimental studies.

Dongju Zhang, Tao Liu, Zhangyu Yu, 2013, The journal of physical chemistry. B.

Theoretical Elucidation of the Mechanism and Kinetic Experimental Phenomena on the Esterification of α-Tocopherol with Succinic Anhydride: Catalysis of a Histidine Derivative vs an Imidazolium-Based Ionic Liquid.

Rongxiu Zhu, C. Liu, Dongju Zhang, 2017, The Journal of organic chemistry.

Theoretical explorations on BN-doped armchair single-walled carbon nanotubes

Guichang Wang, Zunsheng Cai, Xuezhuang Zhao, 2006 .

Atomic Resolution Insights into the Structural Aggregations and Optical Properties of Neat Imidazolium-Based Ionic Liquids.

Z. Lan, Likai Du, Cuihuan Geng, 2016, The journal of physical chemistry. B.

Theoretical study of the dark-oxidation reaction mechanisms for organic polymers

Rongxiu Zhu, C. Liu, Dongju Zhang, 2006 .

A DFT study of the reactions of the Cu+ ion with methylamine and dimethylamine

Dongju Zhang, Changqiao Zhang, W. Cheng, 2009 .

Theoretical illustration on the catalytic effect of alanine methyl ester nitrate ionic liquid on the Diels-Alder reaction between cyclopentadiene and methacrylate

C. Liu, Dongju Zhang, Jianqiang Liu, 2012 .

Theoretical study of silicon-oxygen-sulfur ionic oligomers (SiOS)n+ and (SiOS)n- (n = 1-6)

C. Liu, Dongju Zhang, Ruoxi Wang, 2006 .

Structure of 1-butylpyridinium tetrafluoroborate ionic liquid: quantum chemistry and molecular dynamic simulation studies.

Chengbu Liu, Baofu Qiao, Dongju Zhang, 2010, The journal of physical chemistry. A.

Theoretical insight into the mechanism, regioselectivity, and substituent group effect of Rh-catalyzed synthesis of 1,2-benzothiazines from NH-sulfoximines and diazo compounds.

C. Liu, Dongju Zhang, Jing Yan, 2018, Organic & biomolecular 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.

Theoretical elucidation of the mechanism of cleavage of the aromatic C-C bond in quinoxaline by a tungsten-based complex [W(PMe3)4(η2-CH2PMe2)H].

Jun Gao, C. Liu, Dongju Zhang, 2012, Chemistry.

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 .

Reexamination of CO formation during formic acid decomposition on the Pt(1 1 1) surface in the gas phase

Peng Liu, Dongju Zhang, Chengbu Liu, 2016 .

Reexamination of formic acid decomposition on the Pt(111) surface both in the absence and in the presence of water, from periodic DFT calculations

C. Liu, Dongju Zhang, Y. Qi, 2015 .

New mechanism of the direct pathway for formic acid oxidation on Pd(1 1 1)

Dongju Zhang, Y. Qi, Ying-ying Wang, 2014 .

Morphology-dependent gas-sensing properties of ZnO nanostructures for chlorophenol.

Zhipeng Li, J. Zhan, Dongju Zhang, 2010, Chemistry, an Asian journal.

Molecular modelling investigations on the possibility of phenanthrene dimers to be the primary nuclei of soot

Mingrui Wei, Guanlun Guo, Fan Li, 2017 .

Formation of bicyclic polycyclic aromatic hydrocarbons (PAHs) from the reaction of a phenyl radical with cis-3-penten-1-yne

Fuwu Yan, Mingrui Wei, Guanlun Guo, 2018, RSC advances.

The Dual Role of Gold(I) Complexes in Photosensitizer-Free Visible-Light-Mediated Gold-Catalyzed 1,2-Difunctionalization of Alkynes: A DFT Study.

Rongxiu Zhu, Dongju Zhang, Chengbu Liu, 2018, Chemistry.

Theoretical investigation on the inclusion of TCDD with β-cyclodextrin by performing QM calculations and MD simulations.

J. Zhan, Dongju Zhang, Wenxiao Pan, 2011, Journal of hazardous materials.

Adsorption of formaldehyde molecule on the pristine and silicon-doped boron nitride nanotubes

Rongxiu Zhu, Dongju Zhang, Ruoxi Wang, 2008 .

First-principles study of oxygen reduction reaction on Pd-doped LaxSr1-xCoyFe1-yO3-δ cathodes of solid oxide fuel cells

Fuwu Yan, Mingrui Wei, Guanlun Guo, 2019, International Journal of Hydrogen Energy.

Novel chemical sensor for cyanides: boron-doped carbon nanotubes.

Chengbu Liu, Dongju Zhang, Dongju Zhang, 2006, The journal of physical chemistry. B.

Theoretical Study of Methanol Oxidation on the PtAu(111) Bimetallic Surface: CO Pathway vs Non-CO Pathway

Dongju Zhang, Yuxia Liu, W. Zhong, 2012 .

Theoretical study of the mechanism of formic acid decomposition on the PdAg(111) surface

P. Liu, Dongju Zhang, Ying-ying Wang, 2016 .

Comparative theoretical study of formic acid decomposition on PtAg(111) and Pt(111) surfaces

Jun Gao, Dongju Zhang, Y. Qi, 2015 .

New insight into the CO formation mechanism during formic acid oxidation on Pt(111)

Dongju Zhang, W. Zhong, 2012 .

Theoretical Study of the Oxidation of Formic Acid on the PtAu(111) Surface in the Continuum Water Solution Phase

Dongju Zhang, W. Zhong, Chengbu Liu, 2012 .

Mechanism of N2O Formation During NO Reduction on the Au(111) Surface

Chengbu Liu, Dongju Zhang, Dongju Zhang, 2010 .

Theoretical Investigation of the Formation of Hydrogen Peroxide from H2 and O2 over Anionic Gold Clusters Aun- (n = 1−4)

F. Wang, Yi Ding, Dongju Zhang, 2007 .

The reaction mechanism of hydroxyethylphosphonate dioxygenase: a QM/MM study.

Jun Gao, Likai Du, Dongju Zhang, 2012, Organic & biomolecular chemistry.

New Insight into the Decomposition Mechanism of Formic Acid on Pd(111): Competing Formation of CO2 and CO

Dongju Zhang, Y. Qi, Ying-ying Wang, 2014 .

Mechanisms of green emission from ZnO films prepared by rf magnetron sputtering

Z. Y. Xue, Dongju Zhang, Dongju Zhang, 2004 .

Reactivity of the Alkaline Pretreated Nanoporous Gold for the CO Oxidation

Cunshan Zhou, Dongju Zhang, Dongqing Han, 2011 .

Hard magnetic property and δM(H) plot for sintered NdFeB magnet

Dongju Zhang, Wei Li, Junshu Zhang, 2000 .

Photoluminescence of ZnO films excited with light of different wavelength

Z. Y. Xue, Dongju Zhang, Dongju Zhang, 2003 .

Photoluminescence of ZnO films prepared by r.f. sputtering on different substrates

Dianrui Zhang, Dongju Zhang, X. Zhang, 2003 .

Theoretical investigation on second-order nonlinear optical properties of (dicyanomethylene)-pyran derivatives

Y. Liu, Yongjun Liu, Dongju Zhang, 2001 .

Theoretical Study of the Adsorption of Carbon Monoxide on Pristine and Silicon-Doped Boron Nitride Nanotubes

Dongju Zhang, Ruoxi Wang, 2008 .

Two- and Three-Membered-Ring Hybrid Structures of Silica Nanoclusters

Dongju Zhang, Mingwen Zhao, Ruiqin Q. Zhang, 2004 .

Enhanced mechanisms of oxygen reduction on Pr0.4Sr0.6Co0.2Fe0.8O3-δ impregnated La1-xSrxCo1-yFeyO3-δ cathodes for solid oxide fuel cells

Mingrui Wei, Guanlun Guo, Yihui Liu, 2022, Journal of Alloys and Compounds.

How do the thiolate ligand and its relative position control the oxygen activation in the cysteine dioxygenase model?

Jun Gao, Dongju Zhang, Xin Che, 2012, The journal of physical chemistry. A.

A comparative theoretical study of the catalytic activities of Au2- and AuAg- dimers for CO oxidation

P. Liu, Dongju Zhang, Ke Song, 2012, Journal of Molecular Modeling.

The OH-initiated atmospheric oxidation of divinyl sulfoxide: A theoretical investigation on the reaction mechanism

Weichao Zhang, Dongju Zhang, 2012 .

Structural model of silica nanowire assembled from a highly stable (SiO2)8 unit.

Dongju Zhang, R. Q. Zhang, 2006, The journal of physical chemistry. B.

Mocishengbingqi huanjing bianhua dui zhongguo beifan jiushiqi wenhua de yingxiang

R. Bettinger, Fahu Chen, Hui Wang, 2005 .

Theoretical study of the reactions of 2-chlorophenol over the dehydrated and hydroxylated silica clusters.

Dongju Zhang, Wenxiao Pan, W. Zhong, 2012, The journal of physical chemistry. A.

Theoretical study on the mechanism of selective C−F bond activation of perfluorinated toluene promoted by Co(PMe3)4

Xiaoyan Li, Dongju Zhang, Hongjian Sun, 2013 .

Computational rationalization of the selective C-H and C-F activations of fluoroaromatic imines and ketones by cobalt complexes.

Xiaoyan Li, Dongju Zhang, Hongjian Sun, 2014, Organic & biomolecular chemistry.

A novel aluminum-doped carbon nanotubes sensor for carbon monoxide

Chengbu Liu, Ruoxi Wang, Dongju Zhang, 2007 .

Potential High-Capacity Hydrogen Storage Medium: Hydrogenated Silicon Fullerenes

Dongju Zhang, Chengbu Liu, A. C. Ma, 2007 .

Activation of Aryl Halides at Gold(I) by N-Heterocyclic Carbenes: L-Shaped Heterobidentate ImPy (Imidazo[1,5-a]pyridin-ylidene) N,C Ligands for Oxidant-Free Au(I)/Au(III) Catalysis.

R. Szostak, R. Lalancette, Dongju Zhang, 2023, Angewandte Chemie.

Mechanistic Study on the Decarboxylative sp3 C-N Cross-Coupling between Alkyl Carboxylic Acids and Nitrogen Nucleophiles via Dual Copper and Photoredox Catalysis.

Rongxiu Zhu, Dongju Zhang, Xia Zhao, 2019, Inorganic chemistry.

Mechanistic insights into Ni-catalyzed hydrogen atom transfer (HAT)-triggered hydrodefluorination of CF3-substituted alkenes.

Xiaotai Wang, Dongju Zhang, Jiandong Guo, 2021, Dalton transactions.

A theoretical model investigation of peptide bond formation involving two water molecules in ribosome supports the two-step and eight membered ring mechanism

Jun Gao, Dongju Zhang, Qiang Wang, 2015 .

The blue photoluminescence emitted from ZnO films deposited on glass substrate by rf magnetron sputtering

Z. Y. Xue, Dongju Zhang, Dianrui Zhang, 2002 .

Theoretical and experimental study on the molecular recognition of adrenaline by supramolecular complexation with crown ethers

Tao Liu, Lingli Han, Zhangyu Yu, 2012, Comput. Biol. Medicine.

Revisit sodium-storage mechanism of metal selenides in ether-based electrolytes: Electrochemically-driven Cu permeation to the formation of Cu2-xSe

Jian Yang, Guangyao Ma, Dongju Zhang, 2021 .

Control of atroposelectivity via non-covalent interaction in Cu-catalyzed synthesis of axially chiral biaryls from azonaphthalenes and arylboronic acids

Jinzhao Wang, Dongju Zhang, Chengbu Liu, 2021, Molecular Catalysis.

Silver nanoplates prepared by modified galvanic displacement for surface-enhanced Raman spectroscopy.

J. Zhan, Dongju Zhang, Wenxiao Pan, 2011, Nanoscale.

New insight into the formation mechanism of imidazolium-based halide salts

Dongju Zhang, Xueying Zhu, Chengbu Liu, 2011, Journal of molecular modeling.

Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations

Hao Xu, Dongju Zhang, Chengbu Liu, 2012, Journal of Computer-Aided Molecular Design.

Deciphering the role of acid additives in chiral diamine-catalyzed asymmetric aldol reactions of cyclohexanones with aldehydes

Rongxiu Zhu, Dongju Zhang, Pingli Lv, 2020 .

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 .

NO migration from N-methyl-N-nitrosobenzene-sulfonamide to 3,6-dibromocarbazole: Concerted or stepwise reaction path?

F. Wang, Dongju Zhang, Hui Sun, 2007 .

DFT study of the interactions of 2-chlorophenol/2-chlorophenoxy radical with the (6,0) single-walled ZnO nanotubes with and without an oxygen vacancy

Dongju Zhang, Ke Song, Chengbu Liu, 2011 .

A comparative theoretical study for the methanol dehydrogenation to CO over Pt3 and PtAu2 clusters

Dongju Zhang, Yuxia Liu, W. Zhong, 2012, Journal of Molecular Modeling.

Mesoscopic simulation study on a weakly charged block polyelectrolyte in aqueous solution

Dongju Zhang, S. Yuan, Xiuqing Zhang, 2006, Journal of molecular modeling.

Theoretical study of NO adsorption on gold surfaces

Dongju Zhang, Ying-ying Wang, Chengbu Liu, 2011 .

Mechanism and Origins of Enantio- and Regioselectivities in Catalytic Asymmetric Minisci-type Addition to Heteroarenes.

Cuihuan Geng, Rongxiu Zhu, Dongju Zhang, 2020, The Journal of organic chemistry.

A comprehensive theoretical study on the reactions of Sc+ with CnH2n+2 (n=1-3): structure, mechanism, and potential-energy surface.

Shiling Yuan, Dongju Zhang, Siwei Bi, 2003, Chemistry.

Theoretical study on the hydrogen bond interaction of 1:1 supermolecular complexes of protonated adrenaline with formate anion and its derivatives

Dongju Zhang, Zhang-yu Yu, Tao Liu, 2010 .

Probing anion-cellulose interactions in imidazolium-based room temperature ionic liquids: a density functional study.

Jinxin Guo, Dongju Zhang, Dongju Zhang, 2010, Carbohydrate research.

A theoretical study of silicon-doped boron nitride nanotubes serving as a potential chemical sensor for hydrogen cyanide

Dongju Zhang, Ruoxi Wang, Yongjun Liu, 2009, Nanotechnology.

Boron-doped carbon nanotubes serving as a novel chemical sensor for formaldehyde.

Chengbu Liu, Ruoxi Wang, Dongju Zhang, 2006, The journal of physical chemistry. B.

Silicon-doped carbon nanotubes: a potential resource for the detection of chlorophenols/chlorophenoxy radicals

Dongju Zhang, Ruoxi Wang, Haihui Jiang, 2009, Nanotechnology.

Reactivity of silicon‐doped carbon nanotubes toward small gaseous molecules in the atmosphere

Guanlun Guo, F. Wang, Dongju Zhang, 2008 .

Charge-Transfer Knowledge Graph among Amino Acids Derived from High-Throughput Electronic Structure Calculations for Protein Database

Jun Gao, Likai Du, Hongwei Wang, 2018, ACS omega.

Effects of PdO modification on the performance of La0.6Sr0.4Co0.2Fe0.8O3−δ cathodes for solid oxide fuel cells: A first principle study

Mingrui Wei, Guanlun Guo, Yihui Liu, 2017 .

First-principles study of interfacial effects toward oxygen reduction reaction of palladium/La1-xSrxCo1-yFeyO3-δ cathodes in solid oxide fuel cells

Mingrui Wei, Guanlun Guo, Yihui Liu, 2021 .

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.

Ab initio study of the reorganization barrier for bent triatomic species

Dongju Zhang, D. Feng, Fangzhen Liang, 2000 .

Inner‐sphere reorganization for redox pairs M(NH3)62+/3+ (M=Mn, Fe, and Co): Models and calculations

Dongju Zhang, Yongjun Liu, Haiquan Hu, 2002 .

Theoretical study of the inner‐sphere energy barrier of the transition‐metal complex M(H2O) 62+/3+ in electron‐transfer process

Yuxiang Bu, Dongju Zhang, Chengbu Liu, 1999 .

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 of silicon-oxygen-sulfur oligomers (SiOS) n ( n = 1-6)

Dongju Zhang, Ruoxi Wang, Chengbu Liu, 2005 .

Signature of nanodiamond in Raman spectra: a density functional theoretical study.

Dongju Zhang, R. Q. Zhang, 2005, The journal of physical chemistry. B.

Molecular inclusion of PCB126 by beta-cyclodextrin: a combined molecular dynamics simulation and quantum chemical study

J. Zhan, Dongju Zhang, Hao Xu, 2013, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Thinnest Titanium Dioxide Nanowires Assembled by Ti2O4 Building Blocks

Dongju Zhang, Chengbu Liu, Peng Liu, 2008 .

DFT study of fructose dehydration to 5-hydroxymethylfurfural catalyzed by imidazolium-based ionic liquid

Dongju Zhang, Yiying Yang, Jingjing Li, 2019, Chemical Physics Letters.

Density functional theory study on the cycloaddition of carbon dioxide with propylene oxide catalyzed by alkylmethylimidazolium chlorine ionic liquids.

Dongju Zhang, Dongju Zhang, Hui Sun, 2007, The journal of physical chemistry. A.

Theoretical elucidation on the functional role of pyrrolidine-type ionic liquids in inducing stereoselectivity of the Michael addition of cyclohexanone with trans-β-nitrostyrene.

Dongju Zhang, Hui Sun, 2011, Chirality.

Theoretical study on the mechanism of the reaction of alkylmethylimidazolium cation with benzaldehyde involved in the base-catalyzed Baylis–Hillman reaction

Dongju Zhang, Xiaofeng Wei, 2013 .

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.

Theoretical study for pyridinium-based ionic liquid 1-ethylpyridinium trifluoroacetate: synthesis mechanism, electronic structure, and catalytic reactivity.

Dongju Zhang, Xueying Zhu, P. Cui, 2011, The journal of physical chemistry. A.

Characterizing the properties of the cation and ion pair for the cyclic tetramethylguanidinium nitrate ionic liquid

Dongju Zhang, Xiaofeng Wei, Chengbu Liu, 2009 .

Theoretical Elucidation of Glucose Dehydration to 5-Hydroxymethylfurfural Catalyzed by a SO3H-Functionalized Ionic Liquid.

Dongju Zhang, Jinghua Li, Jingjing Li, 2015, The journal of physical chemistry. B.

Theoretical insight into the different reactivities of aliphatic and aromatic terminal alkynes towards homopropargyl alcohols via Au(I) catalysis

Rongxiu Zhu, Dongju Zhang, Yiying Yang, 2020 .

Theoretical investigation on the Pt(ІІ)-catalyzed [3+2] cycloaddition reactions of propargyl ether derivatives with n-butyl vinyl ether

Dongju Zhang, Tao Liu, Wenzuo Li, 2012 .

Theoretical Study of Methanol Decomposition Mediated by Au3+, Au3 and Au3−: Mechanism and Effect of Charge State of Gold on its Catalytic Activity

Dongju Zhang, W. Zhong, 2013 .

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.