Cunyuan Zhao

发表

Integrated CO2 capture and photocatalytic conversion by a hybrid adsorbent/photocatalyst material

Lianjun Liu, Ying Li, Cunyuan Zhao, 2015 .

A general dissolution–recrystallization strategy to achieve sulfur-encapsulated carbon for an advanced lithium–sulfur battery

Cunyuan Zhao, Kang Yang, Xuliang Fan, 2018 .

Eco-toxicity and human estrogenic exposure risks from OH-initiated photochemical transformation of four phthalates in water: A computational study.

Guiying Li, T. An, Cunyuan Zhao, 2015, Environmental pollution.

Bright blue-emitting Ce3+ complexes with encapsulating polybenzimidazole tripodal ligands as potential electroluminescent devices.

Y. Tong, C. Su, Mei Pan, 2007, Angewandte Chemie.

ZnO-CoO Nanoparticles Encapsulated in 3D Porous Carbon Microspheres for High-performance Lithium-Ion Battery Anodes

Lianjun Liu, Ying Li, Huilei Zhao, 2014 .

The structural and electronic properties of amine-functionalized boron nitride nanotubes via ammonia plasmas: a density functional theory study

W. Ren, Cunyuan Zhao, Fenglei Cao, 2009, Nanotechnology.

Efficient removal of low-concentration organoarsenic by Zr-based metal–organic frameworks: cooperation of defects and hydrogen bonds

Zhang Lin, Yuepeng Cai, Xu-Jia Hong, 2019, Environmental Science: Nano.

Transient resonance Raman and density functional theory investigation of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ions

Cunyuan Zhao, D. Phillips, P. Zhu, 2003 .

CO2 photoreduction with H2O vapor by porous MgO–TiO2 microspheres: effects of surface MgO dispersion and CO2 adsorption–desorption dynamics

Lianjun Liu, Ying Li, Huilei Zhao, 2014 .

Hydrogenation of Carbon Dioxide Using Half-Sandwich Cobalt, Rhodium, and Iridium Complexes: DFT Study on the Mechanism and Metal Effect

Guo Wang, Cunyuan Zhao, Zhuofeng Ke, 2014 .

Mechanistic investigation of the cleavage of phosphodiester catalyzed by a symmetrical oxyimine-based macrocyclic dinuclear zinc complex: a DFT study.

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2014, Dalton transactions.

Synthesis and properties of high‐performance functional polyimides containing rigid nonplanar conjugated tetraphenylethylene moieties

Jia-rui Xu, Cunyuan Zhao, Zhenguo Chi, 2013 .

Spontaneous Dissociation of CO2 to CO on Defective Surface of Cu(I)/TiO2–x Nanoparticles at Room Temperature

Lianjun Liu, Ying Li, Cunyuan Zhao, 2012 .

Synthesis of novel MgAl layered double oxide grafted TiO2 cuboids and their photocatalytic activity on CO2 reduction with water vapor

Lianjun Liu, Ying Li, Huilei Zhao, 2015 .

General H2 Activation Modes for Lewis Acid–Transition Metal Bifunctional Catalysts

Cunyuan Zhao, Zhuofeng Ke, A. Page, 2016 .

cis-Beta-bis(carbonyl) ruthenium-salen complexes: X-ray crystal structures and remarkable catalytic properties toward asymmetric intramolecular alkene cyclopropanation.

C. Che, Cunyuan Zhao, Jie‐Sheng Huang, 2009, Journal of the American Chemical Society.

One catalyst, multiple processes: ligand effects on chemoselective control in Ru-catalyzed anti-Markovnikov reductive hydration of terminal alkynes

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2019, Catalysis Science & Technology.

Unusual non-bifunctional mechanism for Co-PNP complex catalyzed transfer hydrogenation governed by the electronic configuration of metal center.

Cunyuan Zhao, Zhuofeng Ke, Yinwu Li, 2015, Dalton transactions.

Key mechanistic features of Ni-catalyzed C-H/C-O biaryl coupling of azoles and naphthalen-2-yl pivalates.

D. Musaev, Cunyuan Zhao, Junichiro Yamaguchi, 2014, Journal of the American Chemical Society.

High-Performance Functional Polyimides Containing Rigid Nonplanar Conjugated Triphenylethylene Moieties

Jia-rui Xu, Cunyuan Zhao, J. Economy, 2012 .

A theoretical study of dirhodium-catalyzed intramolecular aliphatic C–H bond amination of aryl azides

Cunyuan Zhao, Zhuofeng Ke, Xuepeng Zhang, 2016 .

Mechanistic investigation into the cleavage of a phosphomonoester mediated by a symmetrical oxyimine-based macrocyclic zinc(II) complex.

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

An ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OH

Cunyuan Zhao, D. Phillips, Xufeng Lin, 2005 .

Efficient dehalogenation of polyhalomethanes and production of strong acids in aqueous environments: water-catalyzed O--H-insertion and HI-elimination reactions of isodiiodomethane (CH2I-I) with water.

Cunyuan Zhao, W. Kwok, D. Phillips, 2004, The Journal of chemical physics.

Direct observation of an isopolyhalomethane O-H insertion reaction with water: picosecond time-resolved resonance Raman (ps-TR3) study of the isobromoform reaction with water to produce a CHBr2OH product.

Cunyuan Zhao, W. Kwok, D. Phillips, 2004, The Journal of chemical physics.

Observation of a HI leaving group following ultraviolet photolysis of CH2I2 in water and an ab initio investigation of the O–H insertion/HI elimination reactions of the CH2I–I isopolyhalomethane species with H2O and 2H2O

Cunyuan Zhao, P. Zuo, W. Kwok, 2003 .

Photocatalytic conversion of CO2 and H2O to fuels by nanostructured Ce–TiO2/SBA-15 composites

Jun Wang, Lianjun Liu, Ying Li, 2012 .

Making more efficient lithium carbenoid reagents for cyclopropanation by hetero-aggregation: A DFT prediction on a new factor to control the SN2-Type organometallic reaction

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2018, Journal of Organometallic Chemistry.

Role of solvent in the phosphatase activity of a dinuclear nickel(II) complex of a Schiff base ligand: mechanistic interpretation by DFT studies

D. Das, Cunyuan Zhao, S. Chattopadhyay, 2016 .

Mechanistic implications in the phosphatase activity of Mannich-based dinuclear zinc complexes with theoretical modeling.

D. Das, Cunyuan Zhao, F. Mautner, 2015, Inorganic chemistry.

Theoretical study of the insertion reaction of CH3O–H by singlet alkylidenecarbenes

Cunyuan Zhao, Lizi Yang, Yongcheng Wang, 2005 .

Mechanistic Study of CO2 Photoreduction with H2O on Cu/TiO2 Nanocomposites by in Situ X-ray Absorption and Infrared Spectroscopies

Lianjun Liu, Jeffrey T. Miller, Ying Li, 2017 .

Oxidation mechanism of dibenzothiophene compounds: A computational study

Cunyuan Zhao, Hanlu Wang, Rujin Zhou, 2014 .

The origin of different driving forces between O–H/N–H functional groups in metal ligand cooperation: mechanistic insight into Mn(i) catalysed transfer hydrogenation

Cunyuan Zhao, Zhuofeng Ke, Li Zhou, 2020 .

A DFT study of Co(i) and Ni(ii) pincer complex-catalyzed hydrogenation of ketones: intriguing mechanism dichotomy by ligand field variation

Cunyuan Zhao, Zhuofeng Ke, Yinwu Li, 2019, Catalysis Science & Technology.

When Bifunctional Catalyst Encounters Dual MLC Modes: DFT Study on the Mechanistic Preference in Ru-PNNH Pincer Complex Catalyzed Dehydrogenative Coupling Reaction

Cunyuan Zhao, Zhuofeng Ke, Yinwu Li, 2017 .

DFT Study of Acceptorless Alcohol Dehydrogenation Mediated by Ruthenium Pincer Complexes: Ligand Tautomerization Governing Metal Ligand Cooperation.

Cunyuan Zhao, Zhuofeng Ke, Cheng Hou, 2016, Inorganic chemistry.

A density functional theory study of the hydrolysis mechanism of phosphodiester catalyzed by a mononuclear Zn(II) complex

Cunyuan Zhao, H. Chao, Xuepeng Zhang, 2013 .

Mechanism and enantioselectivity of dirhodium-catalyzed intramolecular C-H amination of sulfamate.

C. Su, Cunyuan Zhao, Zhuofeng Ke, 2013, The Journal of organic chemistry.

Sulfur-infiltrated porous carbon microspheres with controllable multi-modal pore size distribution for high energy lithium-sulfur batteries.

Junhong Chen, Z. Wen, Junwei Jiang, 2014, Nanoscale.

The structural, energetic and electronic properties of doped carbon nanotubes by encapsulation of MCp2 (M = Fe, Co, Ni): A theoretical investigation

Y. Tong, W. Ren, Cunyuan Zhao, 2011, 1109.3109.

Boron nitride nanotubes functionalized by a series of carbenes.

W. Ren, Cunyuan Zhao, Fenglei Cao, 2009, Physical chemistry chemical physics : PCCP.

Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment

Y. Liu, Cunyuan Zhao, Yong‐Liang Huang, 2021, ACS Catalysis.

Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the N-alkylation of amines with alcohols.

Y. Liu, Cunyuan Zhao, Zhuofeng Ke, 2021, Organic & biomolecular chemistry.

A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media

M. Huang, Cunyuan Zhao, Yan Liu, 2019, Green Chemistry.

Branching fraction measurements ofc0 andc2 to 0 0 and

Li-Yu Daisy Liu, Ziyu Wu, Q. Ouyang, 2010 .

Two-dimensional charge-separated metal-organic framework for hysteretic and modulated sorption.

C. Su, Long Jiang, Cunyuan Zhao, 2013, Inorganic chemistry.

Silver-incorporated bicrystalline (anatase/brookite) TiO2 microspheres for CO2 photoreduction with water in the presence of methanol

Lianjun Liu, Ying Li, Huilei Zhao, 2013 .

Assembly of CdI2-type coordination networks from triangular ligand and octahedral metal center: topological analysis and potential framework porosity.

Y. Tong, C. Su, Cunyuan Zhao, 2008, Chemical communications.

Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand

C. Su, Mei Pan, Cunyuan Zhao, 2011 .

Structure and aromaticity of Bi5-, Bi5M (M = Li, Na, K) and Bi5M+ (M = Be, Mg, Ca) clusters

Cunyuan Zhao, Zhiwei Li, Liuping Chen, 2008 .

Sandwich complexes of the P42- aromatic ring with the first row transition metal

Cunyuan Zhao, Zhiwei Li, Liuping Chen, 2007 .

Structure and aromaticity of Sb 5 - and Sb 5M (M = Li, Na, and K) clusters

Cunyuan Zhao, Zhiwei Li, Liuping Chen, 2007 .

Mesoporous Ni–CeO2 Catalyst with Enhanced Selectivity and Stability for Reverse Water–Gas Shift Reaction

Cunyuan Zhao, Luhui Wang, Hui Liu, 2016 .

Effective modulation of an aryl acetylenic molecular system based on dithienyldiketopyrrolopyrrole for organic solar cells

Junbiao Peng, Hongbin Wu, Cunyuan Zhao, 2016 .

Density functional theory study of the mechanism of zinc carbenoid promoted cyclopropanation of allenamides

C. Su, Cunyuan Zhao, Zhuofeng Ke, 2013 .

Porous microspheres of MgO-patched TiO2 for CO2 photoreduction with H2O vapor: temperature-dependent activity and stability.

Lianjun Liu, Ying Li, Huilei Zhao, 2013, Chemical communications.

Correlation between surface chemistry, gasochromism and field emission properties of tungsten oxide nanowire thin films when exposed to atomic oxygen

N. Xu, S. Deng, Cunyuan Zhao, 2015 .

Sorption performance and mechanism of a sludge-derived char as porous carbon-based hybrid adsorbent for benzene derivatives in aqueous solution.

Xin Yang, Cunyuan Zhao, Y. Xiong, 2014, Journal of hazardous materials.

Long-term Results and Prognostic Factors of Primary Nasopharyngeal Carcinoma Patients Treated with Intensity Modulated-Radiotherapy

Cunyuan Zhao, F. Han, Lixia Lu, 2009 .

Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: a density functional theory study.

Cunyuan Zhao, Zhuofeng Ke, Z. Mao, 2011, Journal of the American Chemical Society.

Binding energies and interaction origins between nonclassical single-electron hydrogen, sodium and lithium bonds and neutral boron-containing radicals: a theoretical investigation

Cunyuan Zhao, N. DeYonker, Zhi-feng Li, 2014 .

THEORETICAL STUDY OF SANDWICH COMPLEXES [Fe(η4 - E4)2]2- (E = N, P, As, Sb, AND Bi)

Cunyuan Zhao, Zhiwei Li, Liuping Chen, 2007 .

Dual roles of the electronic effect on selectivity: pincer nickel-electrocatalyzed CO2 reduction

Cunyuan Zhao, Zhuofeng Ke, A. Vignesh, 2021 .

Dual electronic effects achieving a high-performance Ni(II) pincer catalyst for CO2 photoreduction in a noble-metal-free system

Di-Chang Zhong, Cunyuan Zhao, Zhuofeng Ke, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Geometries and spectroscopic properties of silicon clusters (Si5, Si5+, Si5−, Si6, Si6+, and Si6−)

K. Balasubramanian, Cunyuan Zhao, 2002 .

Ester hydrolysis by a cyclodextrin dimer catalyst with a tridentate N,N',N''-zinc linking group.

Cunyuan Zhao, L. Ji, Z. Mao, 2009, Chemistry, an Asian journal.

Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies

D. Das, Cunyuan Zhao, F. Mautner, 2016 .

Theoretical Studies on Reaction Pathways of Samarium(II) Carbenoid-Promoteded Cyclopropanation Reaction of Ethylene

Cunyuan Zhao, Yongcheng Wang, Xiao-xia Chen, 2006 .

Metallalkenyl, Metallacyclopropene, or Metallallylcarbenoid? Ru-Catalyzed Annulation between Benzoic Acid and Alkyne

Cunyuan Zhao, Yan Liu, Zhuofeng Ke, 2019, ACS Catalysis.

Unexpected phosphodiesterase activity at low pH of a dinuclear copper-β-cyclodextrin complex.

Cunyuan Zhao, L. Ji, Z. Mao, 2011, Chemical communications.

Recent advances on N-heterocyclic carbene transition metal complexes for dehydrogenative catalysis using alcohols

Peifeng Su, Cunyuan Zhao, Zhuofeng Ke, 2020 .

The effect of auxiliary ligand on the mechanism and reactivity: DFT study on H2 activation by Lewis acid–transition metal complex (tris(phosphino)borane)Fe(L)

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2017 .

Electronic Effect on Bimetallic Catalysts: Cleavage of Phosphodiester Mediated by Fe(III)-Zn(II) Purple Acid Phosphatase Mimics.

Cunyuan Zhao, Zhuofeng Ke, D. Phillips, 2020, Inorganic chemistry.

Mechanismic investigation on the cleavage of phosphate monoester catalyzed by unsymmetrical macrocyclic dinuclear complexes: the selection of metal centers and the intrinsic flexibility of the ligand.

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2014, Inorganic chemistry.

Hydrolysis mechanisms of BNPP mediated by facial copper(II) complexes bearing single alkyl guanidine pendants: cooperation between the metal centers and the guanidine pendants.

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2016, Dalton transactions.

Mechanistic Insights Into the Factors That Influence the DNA Nuclease Activity of Mononuclear Facial Copper Complexes Containing Hetero-Substituted Cyclens

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2016 .

The effect of HSAB on stereoselectivity: copper- and gold-catalyzed 1,3-phosphatyloxy and 1,3-halogen migration relay to 1,3-dienes.

Cunyuan Zhao, Zhuofeng Ke, Shidong Zhang, 2015, The Journal of organic chemistry.

Solvolysis mechanisms of RNA phosphodiester analogues promoted by mononuclear zinc(II) complexes: mechanisic determination upon solvent medium and ligand effects.

Cunyuan Zhao, Xuepeng Zhang, Hui Gao, 2014, Inorganic chemistry.

Theoretical study of samarium (II) carbenoid (ISmCH2I) promoted cyclopropanation reactions with ethylene and the effect of THF solvent on the reaction pathways.

Dongqi Wang, Cunyuan Zhao, D. Phillips, 2003, Journal of the American Chemical Society.

DENSITY FUNCTIONAL STUDY OF SELECTED MONO-ZINC AND GEM-DIZINC RADICAL CARBENOID CYCLOPROPANATION REACTIONS: OBSERVATION OF AN EFFICIENT RADICAL ZINC CARBENOID CYCLOPROPANATION REACTION AND THE INFLUENCE OF THE LEAVING GROUP ON RING CLOSURE

Dongqi Wang, Cunyuan Zhao, D. Phillips, 2003 .

Density functional theory investigation of the remarkable reactivity of geminal dizinc carbenoids (RZn)(2)CHI (R = Et or I) as cyclopropanation reagents with olefins compared to mono zinc carbenoids RZnCHI(2), EtCHIZnR (R = Et or I).

Dongqi Wang, Cunyuan Zhao, D. Phillips, 2002, Journal of the American Chemical Society.

A comparative DFT study on aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes

Cunyuan Zhao, Hanlu Wang, Rujin Zhou, 2013, Journal of Molecular Modeling.

Predicting the interactions of organometallic ruthenium ethylenediamine complexes with mononucleotides: insights from density functional theory

Cunyuan Zhao, L. Ji, Z. Mao, 2012 .

Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study

Nathan J. DeYonker, Cunyuan Zhao, L. Ji, 2012 .

Aquation and dimerization of osmium(II) anticancer complexes: a density functional theory study

Cunyuan Zhao, L. Ji, Z. Mao, 2012 .

Theoretical studies on the β-hydrogen elimination reactions of palladium and platinum alkoxide complexes containing bidentate ligands

Cunyuan Zhao, Zhenyang Lin, Sze Ming Ng, 2002 .

Mechanism of Counterion-Controlled Regioselective Hydrothiolation of 1,3-Dienes: Insights from a Density Functional Theory Study

Cunyuan Zhao, Zhuofeng Ke, Xiaoyuan Zhou, 2021 .

DFT Study on the Mechanism of Amides to Aldehydes Using Cp2Zr(H)Cl

C. Su, Cunyuan Zhao, D. Phillips, 2010 .

Unusual mechanism of paramagnetic nickel-catalysed α-alkylation of amides.

Cunyuan Zhao, Zhuofeng Ke, Xiaoyuan Zhou, 2021, Dalton transactions.

DFT Mechanistic Study of the Cyclopropanation of Styrene and Aryldiazodiacetate Catalyzed by Tris(pentafluorophenyl)borane

Cunyuan Zhao, Zhuofeng Ke, Yong Shen, 2022, ACS omega.

Lewis Acid Transition Metal Catalyzed Hydrogen Activation: Structure, Mechanism, and Reactivity.

R. Langer, Cunyuan Zhao, Zhuofeng Ke, 2019, Chemistry.

Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(p-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles

Cunyuan Zhao, Zhuofeng Ke, D. Phillips, 2019, RSC advances.

Spectroscopic properties of lead hexamer and its ions (Pb6, Pb6+, Pb6−)

K. Balasubramanian, Cunyuan Zhao, 2002 .

A DFT study on the mechanism of Rh2(II,II)-catalyzed intramolecular amidation of carbamates.

C. Che, Cunyuan Zhao, Zhuofeng Ke, 2007, Chemistry, an Asian journal.

On the mechanism and stereochemistry of chiral lithium-carbenoid-promoted cyclopropanation reactions.

Yubing Zhou, Cunyuan Zhao, Zhuofeng Ke, 2007, Chemistry.

Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization

C. Su, Mei Pan, Cunyuan Zhao, 2008 .

Diazadiborinine as an ambiphilic catalyst for metal-free hydrogenation: a computational study on the structural design and reaction mechanism

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2021 .

Enantioselective Intramolecular Dearomative Lactonization of Naphthols Catalyzed by Planar Chiral Iodoarene

Cunyuan Zhao, Yang Wang, Yi-Ping Wang, 2019, Synthesis.

Intermolecular Electronic Coupling of Organic Units for Efficient Persistent Room‐Temperature Phosphorescence

Yuan-chun Wu, Jia-rui Xu, Cunyuan Zhao, 2016, Angewandte Chemie.

Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.

T. Lu, Cunyuan Zhao, Zi-Zhou Wang, 2010, Dalton transactions.

Water-catalyzed dehalogenation reactions of the isomer of CBr4 and its reaction products and a comparison to analogous reaction of the isomers of di-and trihalomethanes.

Dongqi Wang, K. Hung, Cunyuan Zhao, 2005, Chemistry.

Elucidating metal hydride reactivity using late transition metal boryl and borane hydrides: 2c–2e terminal hydride, 3c–2e bridging hydride, and 3c–4e bridging hydride

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2018 .

Photodissociation of a ruthenium(II) arene complex and its subsequent interactions with biomolecules: a density functional theory study

Nathan J. DeYonker, Cunyuan Zhao, L. Ji, 2012, Journal of Molecular Modeling.

Giant magnetoresistance in non-magnetic phosphoric acid doped polyaniline silicon nanocomposites with higher magnetic field sensing sensitivity.

Qingliu Wu, Zhanhu Guo, Yudong Huang, 2013, Physical chemistry chemical physics : PCCP.

Removal of NO with silicene: a DFT investigation

Cunyuan Zhao, Zhuofeng Ke, Jing Li, 2015 .

Nitrogen‐Doped Co3O4 Mesoporous Nanowire Arrays as an Additive‐Free Air‐Cathode for Flexible Solid‐State Zinc–Air Batteries

Cheng Hou, Minghao Yu, Yexiang Tong, 2017, Advanced materials.

Trinuclear Ru(II) polypyridyl complexes as human telomeric quadruplex DNA stabilizers

Cunyuan Zhao, L. Ji, H. Chao, 2010 .

Ultrasonic spray pyrolysis synthesis of Ag/TiO2 nanocomposite photocatalysts for simultaneous H2 production and CO2 reduction

Ying Li, Ying Li, Huilei Zhao, 2012 .

Mechanistic investigation of dirhodium-catalyzed intramolecular allylic C-H amination versus alkene aziridination.

Cunyuan Zhao, Xuepeng Zhang, Huiying Xu, 2014, The Journal of organic chemistry.

Density functional theory study of water-assisted deprotonation of the C8 intermediate in the reaction of the 2-fluorenylnitrenium ion with guanosine to form a C8 adduct

Cunyuan Zhao, D. Phillips, Zhen Guo, 2008 .

Ab initio investigation of the O-Y (Y = CH3, H) insertion/HI elimination reactions of CH2I-I with CH3OH and H2O: Comparison of methanol and water catalyzed reactions

Cunyuan Zhao, D. Phillips, Xufeng Lin, 2004 .

Synthesis of Carbon-TiO2 Nanocomposites with Enhanced Reversible Capacity and Cyclic Performance as Anodes for Lithium-Ion Batteries

Lianjun Liu, Ying Li, Huilei Zhao, 2015 .

AlN4-Graphene as an efficient catalyst for CO oxidation: a DFT study

Cunyuan Zhao, Huishi Guo, Huiying Xu, 2020 .

Probing the Electric Field Effect on the Catalytic Performance of Mn-Doped Graphene to CO Oxidation

Cunyuan Zhao, Huishi Guo, Xian-Yan Xu, 2017 .

DFT investigation of Ni-doped graphene: catalytic ability to CO oxidation

Cunyuan Zhao, Jing Li, Hui Xu, 2016 .

DFT Study on the Mechanism and Regioselectivity of Gold(I)-Catalyzed Synthesis of Highly Substituted Furans Based on 1-(1-Alkynyl)cyclopropyl Ketones with Nucleophiles

C. Su, Cunyuan Zhao, D. Phillips, 2009 .

Quantum chemical calculation to elucidate the biodegradation pathway of methylphenanthrene by green microalgae.

Cunyuan Zhao, Tiangang Luan, Lijuan Luo, 2020, Water research.

Investigation of the effects of metalloporphyrin species containing different substitutes on electron transfer at the liquid/liquid interface

Xiaoquan Lu, Xiuhui Liu, Cunyuan Zhao, 2006 .

Spectroscopic properties of aromatic heterocyclic systems: XAl3 (X = Si, Ge, Sn, Pb) and their anions and cations

Cunyuan Zhao, Zhiwei Li, Liu-ping Chen, 2007 .

CO2 photoreduction with water vapor by Ti-embedded MgAl layered double hydroxides

Lianjun Liu, Ying Li, Huilei Zhao, 2016 .

Novel anti-fouling Fe2O3/TiO2 nanowire membranes for humic acid removal from water.

Lianjun Liu, Ying Li, G. Rao, 2015 .

O2 dissociation on the side wall of aluminum nitride nanotube: a DFT investigation

W. Ren, Cunyuan Zhao, D. Phillips, 2015 .

Mechanism investigations on CO oxidation catalyzed by Fe-doped graphene: A theoretical study

Cunyuan Zhao, Huishi Guo, Huiying Xu, 2020 .

On the kinetic mechanism of the hydrogen abstraction reactions of the hydroxyl radical with CH3CF2Cl and CH3CFCl2: A dual level direct dynamics study

Ze-Sheng Li, Jing-Yao Liu, Hui Gao, 2009, J. Comput. Chem..

Water-catalyzed dehalogenation reactions of isobromoform and its reaction products.

Dongqi Wang, Cunyuan Zhao, W. Kwok, 2004, Journal of the American Chemical Society.

Geometries and spectroscopic properties of germanium and tin hexamers (Ge6, Ge6+, Ge6−, Sn6, Sn6+, and Sn6−)

K. Balasubramanian, Cunyuan Zhao, 2001 .

Mechanistic insights into the CO oxidation reaction catalyzed by P-coordinated metal-doped graphene: The roles of phosphorus and metal atom

Cunyuan Zhao, Huishi Guo, Huiying Xu, 2021 .

DFT study of CO2 hydrogenation catalyzed by a cobalt-based system: an unexpected formate anion-assisted deprotonation mechanism

Cunyuan Zhao, Zhuofeng Ke, Yinwu Li, 2018 .

Study on C H amination reactions catalyzed by iron porphyrin nitrene complexs with different nitrogen sources

Cunyuan Zhao, Huiying Xu, Cheng Hou, 2020 .

Enantioselective Synthesis of N-Alkylamines through β-Amino C-H Functionalization Promoted by Cooperative Actions of B(C6F5)3 and a Chiral Lewis Acid Co-Catalyst.

Cunyuan Zhao, M. Wasa, Minyi Cao, 2021, Journal of the American Chemical Society.

Mechanistic Insight into the Intramolecular Benzylic C-H Nitrene Insertion Catalyzed by Bimetallic Paddlewheel Complexes: Influence of the Metal Centers.

Cunyuan Zhao, D. Phillips, Xuepeng Zhang, 2016, Chemistry.

cis‐β‐Bis(carbonyl) Ruthenium—Salen Complexes: X‐Ray Crystal Structures and Remarkable Catalytic Properties Toward Asymmetric Intramolecular Alkene Cyclopropanation.

C. Che, Cunyuan Zhao, Jie‐Sheng Huang, 2009 .

Water-catalyzed O-H insertion/HI elimination reactions of isodihalomethanes (CH2X-I, where X = Cl, Br, I) with water and the dehalogenation of dihalomethanes in water-solvated environments.

Cunyuan Zhao, W. Kwok, D. Phillips, 2005, The journal of physical chemistry. A.

Ultraviolet photolysis of CH2I2 in methanol: O-H insertion and HI elimination reactions to form a dimethoxymethane product.

Dongqi Wang, Cunyuan Zhao, W. Kwok, 2005, The journal of physical chemistry. A.

Insight into the mechanism and site-selectivity of Rh2II,II(esp)2-catalyzed intermolecular C–H amination

Cunyuan Zhao, Huiying Xu, Juping Wang, 2016 .

Platinum(II)-catalyzed cyclization sequence of aryl alkynes via C(sp3)-H activation: a DFT study.

C. Su, Cunyuan Zhao, Yanzhong Fan, 2012, The Journal of organic chemistry.

Methylene transfer or carbometalation? A theoretical study to determine the mechanism of lithium carbenoid-promoted cyclopropanation reactions in aggregation and solvation States.

Cunyuan Zhao, Zhuofeng Ke, D. Phillips, 2007, The Journal of organic chemistry.

A Density Functional Theory Study of Aluminum Carbenoid (CH3)2AlCH2X (X = Cl, Br, I) Promoted Cyclopropanation Reactions Compared to IMCH2I (M = Li, Sm, Zn) Carbenoids

Z. Li, Cunyuan Zhao, Zhuofeng Ke, 2006 .

Samarium(III) carbenoid as a competing reactive species in samarium-promoted cyclopropanation reactions.

Dongqi Wang, Cunyuan Zhao, D. Phillips, 2004, The Journal of organic chemistry.

A Theoretical Study of Divalent Lanthanide (Sm and Yb) Complexes with a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand

Dongqi Wang, Cunyuan Zhao, D. Phillips, 2004 .

Spectroscopic properties of novel aromatic metal clusters: NaM4 (M=Al,Ga,In) and their cations and anions.

K. Balasubramanian, Cunyuan Zhao, 2004, The Journal of chemical physics.

Intrinsic Reaction Coordinate Analysis of the Activation of CH4 by Molybdenum Atoms: A Density Functional Theory Study of the Crossing Seams of the Potential Energy Surfaces

Cunyuan Zhao, Zhuofeng Ke, D. Phillips, 2008 .

The Value of Adding Chemotherapy to Intensity Modulated Radiation Therapy for Stage II Nasopharyngeal Carcinoma: A Multicenter Phase 2 Study

Cunyuan Zhao, J. Xiao, J. Yi, 2015 .

A Randomized Controlled Multicenter Trial of Actovegin Against Acute Oral Mucositis Induced by Chemo-radiotherapy for Nasopharyngeal Carcinoma

Jianji Pan, Cunyuan Zhao, N. Cui, 2008 .

Group 13 metal catalysts for hydrogen activation and hydrogenation

Cunyuan Zhao, Zhuofeng Ke, Xiaoyuan Zhou, 2023, Journal of Catalysis.

Sulfur-infiltrated porous carbon microspheres with controllable multi-modal pore size distribution for high energy lithium-sulfur batteries.

Junhong Chen, Z. Wen, Junwei Jiang, 2014, Nanoscale.

Mechanistic investigation of dirhodium-catalyzed intramolecular allylic C-H amination versus alkene aziridination.

Cunyuan Zhao, Xuepeng Zhang, Huiying Xu, 2014, The Journal of organic chemistry.

Rationalization of the selectivity between 1,3- and 1,2-migration: a DFT study on gold(i)-catalyzed propargylic ester rearrangement.

Cunyuan Zhao, Yan Liu, Zhuofeng Ke, 2016, Organic & biomolecular chemistry.

Mechanism of Si–H Bond Activation for Lewis Acid PBP-Ni-Catalyzed Hydrosilylation of CO2: The Role of the Linear SN2 Type Cooperation

Youxiang Shao, Cunyuan Zhao, Zhuofeng Ke, 2019, ACS Catalysis.

Theoretical Study of O2 Molecular Adsorption and Dissociation on Silicon Carbide Nanotubes

W. Ren, Cunyuan Zhao, Fenglei Cao, 2010 .

Key mechanistic features of Ni-catalyzed C-H/C-O biaryl coupling of azoles and naphthalen-2-yl pivalates.

D. Musaev, Cunyuan Zhao, Junichiro Yamaguchi, 2014, Journal of the American Chemical Society.