| Year |
Citation |
Score |
| 2022 |
Huang HH, Zhang JH, Dai M, Liu L, Ye Z, Liu J, Zhong DC, Wang JW, Zhao C, Ke Z. Dual electronic effects achieving a high-performance Ni(II) pincer catalyst for CO photoreduction in a noble-metal-free system. Proceedings of the National Academy of Sciences of the United States of America. 119: e2119267119. PMID 35998222 DOI: 10.1073/pnas.2119267119 |
0.715 |
|
| 2022 |
Wen X, Lu P, Shen Y, Peng H, Ke Z, Zhao C. DFT Mechanistic Study of the Cyclopropanation of Styrene and Aryldiazodiacetate Catalyzed by Tris(pentafluorophenyl)borane. Acs Omega. 7: 12900-12909. PMID 35474821 DOI: 10.1021/acsomega.2c00200 |
0.623 |
|
| 2021 |
Du C, Zhou X, Li W, Wen X, Ke Z, Zhao C. Unusual mechanism of paramagnetic nickel-catalysed α-alkylation of amides. Dalton Transactions (Cambridge, England : 2003). PMID 33928994 DOI: 10.1039/d1dt01206a |
0.603 |
|
| 2021 |
Huang M, Li Y, Lan XB, Liu J, Zhao C, Liu Y, Ke Z. Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the -alkylation of amines with alcohols. Organic & Biomolecular Chemistry. 19: 3451-3461. PMID 33899900 DOI: 10.1039/d1ob00362c |
0.806 |
|
| 2021 |
Shao Y, Huang M, Gu F, Zhao C, Qu L, Ke Z. Diazadiborinine as an ambiphilic catalyst for metal-free hydrogenation: a computational study on the structural design and reaction mechanism Organic Chemistry Frontiers. 8: 1206-1215. DOI: 10.1039/D0QO01510E |
0.63 |
|
| 2021 |
Huang H, Dai M, Liu L, Liu J, Zhao C, Vignesh A, Ke Z. Dual roles of the electronic effect on selectivity: pincer nickel-electrocatalyzed CO2 reduction Catalysis Science & Technology. 11: 874-885. DOI: 10.1039/d0cy01832e |
0.51 |
|
| 2021 |
Huang M, Liu J, Li Y, Lan X, Su P, Zhao C, Ke Z. Recent advances on N-heterocyclic carbene transition metal complexes for dehydrogenative catalysis using alcohols Catalysis Today. 370: 114-141. DOI: 10.1016/j.cattod.2020.10.022 |
0.576 |
|
| 2020 |
Zhou X, Zhang XP, Li W, Phillips DL, Ke Z, Zhao C. Electronic Effect on Bimetallic Catalysts: Cleavage of Phosphodiester Mediated by Fe(III)-Zn(II) Purple Acid Phosphatase Mimics. Inorganic Chemistry. PMID 32805999 DOI: 10.1021/Acs.Inorgchem.0C01011 |
0.682 |
|
| 2020 |
Xu X, Lin S, Xu H, Guo H, Zhao C. AlN4-graphene as an efficient catalyst for CO oxidation New Journal of Chemistry. DOI: 10.1039/D0Nj03566A |
0.37 |
|
| 2020 |
Zhou L, Liu D, Lan H, Wang X, Zhao C, Ke Z, Hou C. 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 Catalysis Science & Technology. 10: 169-179. DOI: 10.1039/C9Cy02112D |
0.784 |
|
| 2020 |
Zhang J, Hou C, Li W, Xu H, Zhao C. Study on CH amination reactions catalyzed by iron porphyrin nitrene complexs with different nitrogen sources Inorganic Chemistry Communications. 114: 107787. DOI: 10.1016/J.Inoche.2020.107787 |
0.673 |
|
| 2020 |
Li W, Zhou X, Chen Z, Du C, Zhao C. DFT study reveals an unusual non-bifunctional mechanism for CO2 hydrogenation using a kind of PNP-Fe catalyst Inorganic Chemistry Communications. 114: 107758. DOI: 10.1016/J.Inoche.2019.107758 |
0.407 |
|
| 2020 |
Xu X, Xu H, Guo H, Zhao C. Mechanism investigations on CO oxidation catalyzed by Fe-doped graphene: A theoretical study Applied Surface Science. 523: 146496. DOI: 10.1016/J.Apsusc.2020.146496 |
0.307 |
|
| 2019 |
Zhou X, Zhang XP, Li W, Jiang J, Xu H, Ke Z, Phillips DL, Zhao C. Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles. Rsc Advances. 9: 37696-37704. PMID 35541823 DOI: 10.1039/c9ra06737j |
0.624 |
|
| 2019 |
Li Y, Liu J, Huang X, Qu LB, Zhao C, Langer R, Ke Z. Lewis Acid Transition Metal Catalyzed Hydrogen Activation: Structure, Mechanism, and Reactivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31390099 DOI: 10.1002/Chem.201903193 |
0.738 |
|
| 2019 |
Zhou X, Zhang X, Li W, Jiang J, Xu H, Ke Z, Phillips DL, Zhao C. Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(p-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles Rsc Advances. 9: 37696-37704. DOI: 10.1039/C9Ra06737J |
0.622 |
|
| 2019 |
Huang M, Li Y, Liu J, Lan X, Liu Y, Zhao C, Ke Z. A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media Green Chemistry. 21: 219-224. DOI: 10.1039/C8Gc02298D |
0.775 |
|
| 2019 |
Ye Z, Huang X, Shao Y, Jiang J, Qu L, Zhao C, Ke Z. One catalyst, multiple processes: ligand effects on chemoselective control in Ru-catalyzed anti-Markovnikov reductive hydration of terminal alkynes Catalysis Science & Technology. 9: 2315-2327. DOI: 10.1039/C8Cy02437E |
0.639 |
|
| 2019 |
Hou C, Li Y, Zhao C, Ke Z. A DFT study of Co(I) and Ni(II) pincer complex-catalyzed hydrogenation of ketones: intriguing mechanism dichotomy by ligand field variation Catalysis Science & Technology. 9: 125-135. DOI: 10.1039/C8Cy01862F |
0.771 |
|
| 2019 |
Jiang J, Liu H, Cao L, Zhao C, Liu Y, Ackermann L, Ke Z. Metallalkenyl, Metallacyclopropene, or Metallallylcarbenoid? Ru-Catalyzed Annulation between Benzoic Acid and Alkyne Acs Catalysis. 9: 9387-9392. DOI: 10.1021/Acscatal.9B02952 |
0.62 |
|
| 2019 |
Huang X, Zhang K, Shao Y, Li Y, Gu F, Qu L, Zhao C, Ke Z. Mechanism of Si–H Bond Activation for Lewis Acid PBP-Ni-Catalyzed Hydrosilylation of CO2: The Role of the Linear SN2 Type Cooperation Acs Catalysis. 9: 5279-5289. DOI: 10.1021/Acscatal.9B00879 |
0.625 |
|
| 2018 |
Li Y, Liu J, Hou C, Shao Y, Qu L, Zhao C, Ke Z. 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 Catalysis Science & Technology. 8: 3395-3405. DOI: 10.1039/C8Cy00766G |
0.771 |
|
| 2018 |
Zhang Z, Li Y, Hou C, Zhao C, Ke Z. DFT study of CO2 hydrogenation catalyzed by a cobalt-based system: an unexpected formate anion-assisted deprotonation mechanism Catalysis Science & Technology. 8: 656-666. DOI: 10.1039/C7Cy02012K |
0.773 |
|
| 2018 |
Shao Y, Huang X, Zhao C, Ke Z. 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 Journal of Organometallic Chemistry. 864: 110-114. DOI: 10.1016/J.Jorganchem.2018.02.021 |
0.595 |
|
| 2017 |
Yu M, Wang Z, Hou C, Wang Z, Liang C, Zhao C, Tong Y, Lu X, Yang S. Nitrogen-Doped Co3 O4 Mesoporous Nanowire Arrays as an Additive-Free Air-Cathode for Flexible Solid-State Zinc-Air Batteries. Advanced Materials (Deerfield Beach, Fla.). PMID 28185332 DOI: 10.1002/Adma.201602868 |
0.635 |
|
| 2017 |
Zhang J, Lin J, Li Y, Shao Y, Huang X, Zhao C, Ke Z. 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) Catalysis Science & Technology. 7: 4866-4878. DOI: 10.1039/C7Cy01217A |
0.663 |
|
| 2016 |
Hou C, Zhang Z, Zhao C, Ke Z. DFT Study of Acceptorless Alcohol Dehydrogenation Mediated by Ruthenium Pincer Complexes: Ligand Tautomerization Governing Metal Ligand Cooperation. Inorganic Chemistry. PMID 27322755 DOI: 10.1021/Acs.Inorgchem.6B00723 |
0.76 |
|
| 2016 |
Zhang X, Xu H, Liu X, Phillips DL, Zhao C. Mechanistic Insight into the Intramolecular Benzylic C-H Nitrene Insertion Catalyzed by Bimetallic Paddlewheel Complexes: Influence of the Metal Centers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27061588 DOI: 10.1002/Chem.201600371 |
0.373 |
|
| 2016 |
Jiang J, Liu Y, Hou C, Li Y, Luan Z, Zhao C, Ke Z. Rationalization of the selectivity between 1,3- and 1,2-migration: a DFT study on gold(i)-catalyzed propargylic ester rearrangement. Organic & Biomolecular Chemistry. PMID 26975729 DOI: 10.1039/C6Ob00215C |
0.741 |
|
| 2016 |
Sanyal R, Zhang X, Chakraborty P, Mautner FA, Zhao C, Das D. Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies Rsc Advances. 6: 73534-73546. DOI: 10.1039/C6Ra08705A |
0.407 |
|
| 2016 |
Sanyal R, Zhang X, Chakraborty P, Giri S, Chattopadhyay SK, Zhao C, Das D. Role of solvent in the phosphatase activity of a dinuclear nickel(II) complex of a Schiff base ligand: mechanistic interpretation by DFT studies New Journal of Chemistry. 40: 7388-7398. DOI: 10.1039/C6Nj01043A |
0.433 |
|
| 2016 |
Xu X, Li J, Xu H, Xu X, Zhao C. DFT investigation of Ni-doped graphene: catalytic ability to CO oxidation New Journal of Chemistry. 40: 9361-9369. DOI: 10.1039/C6Nj00924G |
0.328 |
|
| 2016 |
Wang J, Zhao C, Weng Y, Xu H. Insight into the mechanism and site-selectivity of Rh2II,II(esp)2-catalyzed intermolecular C–H amination Catalysis Science & Technology. 6: 5292-5303. DOI: 10.1039/C6Cy00505E |
0.383 |
|
| 2016 |
Xu H, Zhang X, Ke Z, Zhao C. A theoretical study of dirhodium-catalyzed intramolecular aliphatic C–H bond amination of aryl azides Rsc Advances. 6: 29045-29053. DOI: 10.1039/C5Ra24340H |
0.694 |
|
| 2016 |
Hou C, Jiang J, Li Y, Zhao C, Ke Z. When Bifunctional Catalyst Encounters Dual MLC Modes: DFT Study on the Mechanistic Preference in Ru-PNNH Pincer Complex Catalyzed Dehydrogenative Coupling Reaction Acs Catalysis. 7: 786-795. DOI: 10.1021/Acscatal.6B02505 |
0.741 |
|
| 2016 |
Li Y, Hou C, Jiang J, Zhang Z, Zhao C, Page AJ, Ke Z. General H2 Activation Modes for Lewis Acid-Transition Metal Bifunctional Catalysts Acs Catalysis. 6: 1655-1662. DOI: 10.1021/Acscatal.5B02395 |
0.737 |
|
| 2016 |
Zhang X, Liu X, Phillips DL, Zhao C. Mechanistic Insights into the Factors That Influence the DNA Nuclease Activity of Mononuclear Facial Copper Complexes Containing Hetero-Substituted Cyclens Acs Catalysis. 6: 248-257. DOI: 10.1021/Acscatal.5B01735 |
0.388 |
|
| 2015 |
Zhang X, Liu X, Phillips DL, Zhao C. Hydrolysis mechanisms of BNPP mediated by facial copper(ii) complexes bearing single alkyl guanidine pendants: cooperation between the metal centers and the guanidine pendants. Dalton Transactions (Cambridge, England : 2003). PMID 26688285 DOI: 10.1039/C5Dt03949E |
0.463 |
|
| 2015 |
Hou C, Jiang J, Li Y, Zhang Z, Zhao C, Ke Z. Unusual non-bifunctional mechanism for complex catalyzed transfer hydrogenation governed by the electronic configuration of metal center. Dalton Transactions (Cambridge, England : 2003). 44: 16573-85. PMID 26332273 DOI: 10.1039/C5Dt02163D |
0.777 |
|
| 2015 |
Sanyal R, Zhang X, Kundu P, Chattopadhyay T, Zhao C, Mautner FA, Das D. Mechanistic implications in the phosphatase activity of Mannich-based dinuclear zinc complexes with theoretical modeling. Inorganic Chemistry. 54: 2315-24. PMID 25695837 DOI: 10.1021/Ic502937A |
0.431 |
|
| 2015 |
Jiang J, Hou C, Zhang S, Luan Z, Zhao C, Ke Z. The effect of HSAB on stereoselectivity: copper- and gold-catalyzed 1,3-phosphatyloxy and 1,3-halogen migration relay to 1,3-dienes. The Journal of Organic Chemistry. 80: 1661-71. PMID 25559095 DOI: 10.1021/Jo502600J |
0.761 |
|
| 2015 |
Li Z, Li H, Yang X, Liu X, Zuo G, Zhao C. Direct coupling of unactivated alkynes and C(sp3)–H bonds catalyzed by a Pt(II, IV)-centered catalyst: a computational study Rsc Advances. 5: 31954-31964. DOI: 10.1039/C5Ra05458C |
0.457 |
|
| 2015 |
Xu X, Li J, Zhang X, Xu H, Ke Z, Zhao C. Removal of NO with silicene: a DFT investigation Rsc Advances. 5: 22135-22147. DOI: 10.1039/C4Ra13754J |
0.608 |
|
| 2014 |
Zhang X, Zhu Y, Gao H, Zhao C. Solvolysis mechanisms of RNA phosphodiester analogues promoted by mononuclear zinc(II) complexes: mechanisic determination upon solvent medium and ligand effects. Inorganic Chemistry. 53: 11903-12. PMID 25361197 DOI: 10.1021/Ic501084A |
0.429 |
|
| 2014 |
Xu H, Muto K, Yamaguchi J, Zhao C, Itami K, Musaev DG. Key mechanistic features of Ni-catalyzed C-H/C-O biaryl coupling of azoles and naphthalen-2-yl pivalates. Journal of the American Chemical Society. 136: 14834-44. PMID 25259782 DOI: 10.1021/Ja5071174 |
0.337 |
|
| 2014 |
Zhang X, Xu H, Zhao C. Mechanistic investigation of dirhodium-catalyzed intramolecular allylic C-H amination versus alkene aziridination. The Journal of Organic Chemistry. 79: 9799-811. PMID 25254484 DOI: 10.1021/Jo5019987 |
0.428 |
|
| 2014 |
Zhang X, Zheng X, Phillips DL, Zhao C. Mechanistic investigation of the cleavage of phosphodiester catalyzed by a symmetrical oxyimine-based macrocyclic dinuclear zinc complex: a DFT study. Dalton Transactions (Cambridge, England : 2003). 43: 16289-99. PMID 25141046 DOI: 10.1039/C4Dt01491J |
0.467 |
|
| 2014 |
Zhang X, Xu X, Xu H, Zhang X, Phillips DL, Zhao C. Mechanistic investigation into the cleavage of a phosphomonoester mediated by a symmetrical oxyimine-based macrocyclic zinc(II) complex. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 1887-98. PMID 24692392 DOI: 10.1002/Cphc.201301216 |
0.49 |
|
| 2014 |
Zhang X, Zhu Y, Zheng X, Phillips DL, Zhao C. 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. Inorganic Chemistry. 53: 3354-61. PMID 24649877 DOI: 10.1021/Ic402717X |
0.458 |
|
| 2014 |
Hou C, Jiang J, Zhang S, Wang G, Zhang Z, Ke Z, Zhao C. Hydrogenation of Carbon Dioxide Using Half-Sandwich Cobalt, Rhodium, and Iridium Complexes: DFT Study on the Mechanism and Metal Effect Acs Catalysis. 4: 2990-2997. DOI: 10.1021/Cs500688Q |
0.776 |
|
| 2014 |
Zeng X, Mo G, Wang H, Zhou R, Zhao C. Oxidation mechanism of dibenzothiophene compounds: A computational study Computational and Theoretical Chemistry. 1037: 22-27. DOI: 10.1016/J.Comptc.2014.03.023 |
0.311 |
|
| 2014 |
Li Z, Yang X, DeYonker NJ, Xu X, Guo Z, Zhao C. Binding energies and interaction origins between nonclassical single-electron hydrogen, sodium and lithium bonds and neutral boron-containing radicals: a theoretical investigation Chinese Science Bulletin. 59: 2597-2607. DOI: 10.1007/S11434-014-0361-Z |
0.342 |
|
| 2014 |
Zeng X, Wang H, DeYonker NJ, Mo G, Zhou R, Zhao C. Reaction mechanism of oxidative desulfurization of heterocyclic organic sulfides: A computational study Theoretical Chemistry Accounts. 133: 1-6. DOI: 10.1007/S00214-014-1498-1 |
0.303 |
|
| 2013 |
Zhang X, Ke Z, DeYonker NJ, Xu H, Li ZF, Xu X, Zhang X, Su CY, Phillips DL, Zhao C. Mechanism and enantioselectivity of dirhodium-catalyzed intramolecular C-H amination of sulfamate. The Journal of Organic Chemistry. 78: 12460-8. PMID 24308708 DOI: 10.1021/Jo402101H |
0.677 |
|
| 2013 |
Wang H, Zeng X, Zhou R, Zhao C. A comparative DFT study on aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes. Journal of Molecular Modeling. 19: 4849-56. PMID 24037457 DOI: 10.1007/S00894-013-1987-5 |
0.39 |
|
| 2013 |
Wang S, Yang Q, Zhang J, Zhang X, Zhao C, Jiang L, Su CY. Two-dimensional charge-separated metal-organic framework for hysteretic and modulated sorption. Inorganic Chemistry. 52: 4198-204. PMID 23531233 DOI: 10.1021/Ic301781N |
0.31 |
|
| 2013 |
Xu H, Zhang X, Ke ZF, Li ZF, Xu XY, Su CY, Phillips DL, Zhao C. Density functional theory study of the mechanism of zinc carbenoid promoted cyclopropanation of allenamides Rsc Advances. 3: 17131-17142. DOI: 10.1039/C3Ra42168F |
0.63 |
|
| 2013 |
Zhang X, Gao H, Xu H, Xu J, Chao H, Zhao C. A density functional theory study of the hydrolysis mechanism of phosphodiester catalyzed by a mononuclear Zn(II) complex Journal of Molecular Catalysis a-Chemical. 368: 53-60. DOI: 10.1016/J.Molcata.2012.11.025 |
0.482 |
|
| 2012 |
Li ZF, Fan Y, DeYonker NJ, Zhang X, Su CY, Xu H, Xu X, Zhao C. Platinum(II)-catalyzed cyclization sequence of aryl alkynes via C(sp3)-H activation: a DFT study. The Journal of Organic Chemistry. 77: 6076-86. PMID 22746201 DOI: 10.1021/Jo300849T |
0.451 |
|
| 2012 |
Wang H, DeYonker NJ, Zhang X, Zhao C, Ji L, Mao ZW. Photodissociation of a ruthenium(II) arene complex and its subsequent interactions with biomolecules: a density functional theory study. Journal of Molecular Modeling. 18: 4675-86. PMID 22653608 DOI: 10.1007/S00894-012-1467-3 |
0.406 |
|
| 2012 |
Wang H, Yonker NJD, Gao H, Phillips DL, Zhao C, Ji L, Mao ZW. Predicting the interactions of organometallic ruthenium ethylenediamine complexes with mononucleotides: Insights from density functional theory Rsc Advances. 2: 7849-7859. DOI: 10.1039/C2Ra20984E |
0.404 |
|
| 2012 |
Wang H, Yonker NJD, Gao H, Tan C, Zhang X, Ji L, Zhao C, Mao Z. Aquation and dimerization of osmium(II) anticancer complexes: a density functional theory study Rsc Advances. 2: 436-446. DOI: 10.1039/C1Ra00604E |
0.377 |
|
| 2012 |
Wang H, DeYonker NJ, Gao H, Ji L, Zhao C, Mao Z. Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study Journal of Organometallic Chemistry. 704: 17-28. DOI: 10.1016/J.Jorganchem.2011.12.034 |
0.361 |
|
| 2011 |
Gao H, Ke Z, DeYonker NJ, Wang J, Xu H, Mao ZW, Phillips DL, Zhao C. Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: a density functional theory study. Journal of the American Chemical Society. 133: 2904-15. PMID 21319769 DOI: 10.1021/Ja106456U |
0.683 |
|
| 2011 |
Liu Y, Pan M, Li K, Yan C, Shen Y, Zhao C, Wang W, Su C. Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand Crystal Growth & Design. 11: 4876-4884. DOI: 10.1021/Cg200701J |
0.347 |
|
| 2010 |
Wang J, Xu H, Gao H, Su CY, Zhao C, Phillips DL. DFT study on the mechanism of amides to aldehydes using Cp 2Zr(H)Cl Organometallics. 29: 42-51. DOI: 10.1021/Om900371U |
0.457 |
|
| 2010 |
Xu L, Liao G, Chen X, Zhao C, Chao H, Ji L. Trinuclear Ru(II) polypyridyl complexes as human telomeric quadruplex DNA stabilizers Inorganic Chemistry Communications. 13: 1050-1053. DOI: 10.1016/J.Inoche.2010.06.008 |
0.309 |
|
| 2009 |
Tang S, Zhou Y, Chen H, Zhao C, Mao Z, Ji L. Ester hydrolysis by a cyclodextrin dimer catalyst with a tridentate N,N',N''-zinc linking group. Chemistry-An Asian Journal. 4: 1354-1360. PMID 19579255 DOI: 10.1002/Asia.200900108 |
0.37 |
|
| 2009 |
Guo Z, Xue J, Ke Z, Phillips DL, Zhao C. Influence of water hydrogen bonding on the reactions of arylnitrenium ions with guanosine: hydrogen-bonding effects can favor reaction at the C8 site. The Journal of Physical Chemistry. B. 113: 6528-32. PMID 19358540 DOI: 10.1021/Jp8104584 |
0.628 |
|
| 2009 |
Xu ZJ, Fang R, Zhao C, Huang JS, Li GY, Zhu N, Che CM. cis-Beta-bis(carbonyl) ruthenium-salen complexes: X-ray crystal structures and remarkable catalytic properties toward asymmetric intramolecular alkene cyclopropanation. Journal of the American Chemical Society. 131: 4405-17. PMID 19275149 DOI: 10.1021/Ja8086399 |
0.31 |
|
| 2009 |
Fang R, Su CY, Zhao C, Phillips DL. 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 Organometallics. 28: 741-748. DOI: 10.1021/Om800751U |
0.411 |
|
| 2008 |
Guo Z, Zhao C, Phillips DL, Robertson EG, McNaughton D. An experimental and theoretical study of NSCl decomposition in the presence of trace amounts of water. The Journal of Physical Chemistry. A. 112: 8561-8. PMID 18714953 DOI: 10.1021/Jp802445R |
0.374 |
|
| 2008 |
Guo Z, Ke Z, Phillips DL, Zhao C. 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 Organometallics. 27: 181-188. DOI: 10.1021/Om7007452 |
0.592 |
|
| 2008 |
Li Z, Zhao C, Chen L. Structure and aromaticity of Bi5-, Bi5M (M = Li, Na, K) and Bi5M+ (M = Be, Mg, Ca) clusters Journal of Molecular Structure-Theochem. 854: 46-53. DOI: 10.1016/J.Theochem.2007.12.032 |
0.321 |
|
| 2008 |
Guo Z, Lin X, Zhao C, Phillips DL. 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 Journal of Molecular Structure: Theochem. 848: 119-127. DOI: 10.1016/J.Theochem.2007.09.017 |
0.372 |
|
| 2007 |
Lin X, Zhao C, Che CM, Ke Z, Phillips DL. A DFT study on the mechanism of Rh2(II,II)-catalyzed intramolecular amidation of carbamates. Chemistry, An Asian Journal. 2: 1101-8. PMID 17712831 DOI: 10.1002/Asia.200700068 |
0.634 |
|
| 2007 |
Fang R, Ke Z, Shen Y, Zhao C, Phillips DL. Concurrent cyclopropanation by carbenes and carbanions? A density functional theory study on the reaction pathways. The Journal of Organic Chemistry. 72: 5139-45. PMID 17552566 DOI: 10.1021/Jo0704356 |
0.64 |
|
| 2007 |
Ke Z, Zhou Y, Gao H, Zhao C, Phillips DL. On the mechanism and stereochemistry of chiral lithium-carbenoid-promoted cyclopropanation reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 6724-31. PMID 17508383 DOI: 10.1002/Chem.200700145 |
0.646 |
|
| 2007 |
Ke Z, Zhao C, Phillips DL. Methylene transfer or carbometalation? A theoretical study to determine the mechanism of lithium carbenoid-promoted cyclopropanation reactions in aggregation and solvation States. The Journal of Organic Chemistry. 72: 848-60. PMID 17253804 DOI: 10.1021/Jo062129I |
0.642 |
|
| 2007 |
Li Z, Zhao C, Chen L. THEORETICAL STUDY OF SANDWICH COMPLEXES [Fe(η4 - E4)2]2- (E = N, P, As, Sb, AND Bi) Journal of Theoretical and Computational Chemistry. 6: 363-376. DOI: 10.1142/S0219633607002988 |
0.305 |
|
| 2007 |
Li Z, Zhao C, Chen L. Sandwich complexes of the P42- aromatic ring with the first row transition metal Journal of Molecular Structure-Theochem. 810: 1-6. DOI: 10.1016/J.Theochem.2007.01.032 |
0.329 |
|
| 2007 |
Li Z, Geng Z, Zhao C, Wang Y, Liu L. The influence of the leaving group X (X = F, Cl, Br, I) on the carbenoid nature of the carbenoids X2AlCH2X – A theoretical study Journal of Molecular Structure-Theochem. 807: 173-178. DOI: 10.1016/J.Theochem.2006.12.034 |
0.369 |
|
| 2007 |
Li Z, Zhao C, Chen L. Structure and aromaticity of Sb5- and Sb5M (M = Li, Na, and K) clusters Journal of Molecular Structure-Theochem. 807: 17-23. DOI: 10.1016/J.Theochem.2006.12.002 |
0.323 |
|
| 2007 |
Lin X, Zhao C, Che C, Ke Z, Phillips D. Cover Picture: A DFT Study on the Mechanism of Rh2II,II-Catalyzed Intramolecular Amidation of Carbamates (Chem. Asian J. 9/2007) Chemistry – An Asian Journal. 2: 1055-1055. DOI: 10.1002/Asia.200790025 |
0.617 |
|
| 2006 |
Geng Z, Zhang X, Wang Y, Fang R, Gao L, Chen X, Zhao C. Theoretical Studies on Reaction Pathways of Samarium(II) Carbenoid-Promoteded Cyclopropanation Reaction of Ethylene Chinese Journal of Chemical Physics. 19: 69-75. DOI: 10.1360/Cjcp2006.19(1).69.7 |
0.409 |
|
| 2006 |
Li Z, Ke Z, Zhao C, Geng Z, Wang Y, Phillips DL. 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 Organometallics. 25: 3735-3742. DOI: 10.1021/Om060333Q |
0.611 |
|
| 2006 |
Fang R, Zhang X, Geng Z, Yang L, Chen X, Gao L, Wang Y, Zhao C. RETRACTED: Theoretical study of deoxygenation and desulfurization of oxirane and thiirane by singlet germylenes Journal of Molecular Structure-Theochem. 761: 53-62. DOI: 10.1016/J.Theochem.2005.12.019 |
0.388 |
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| 2005 |
Phillips DL, Zhao C, Wang D. A theoretical study of the mechanism of the water-catalyzed HCl elimination reactions of CHXCl(OH) (X = H, Cl) and HClCO in the gas phase and in aqueous solution. The Journal of Physical Chemistry. A. 109: 9653-73. PMID 16866419 DOI: 10.1021/Jp053015Y |
0.373 |
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| 2005 |
Guan X, Lin X, Kwok WM, Du Y, Li YL, Zhao C, Wang D, Phillips DL. Ultraviolet photolysis of CH2I2 in methanol: O-H insertion and HI elimination reactions to form a dimethoxymethane product. The Journal of Physical Chemistry. A. 109: 1247-56. PMID 16833436 DOI: 10.1021/Jp046060Z |
0.308 |
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| 2005 |
Lin X, Guan X, Kwok WM, Zhao C, Du Y, Li YL, Phillips DL. 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. The Journal of Physical Chemistry. A. 109: 981-98. PMID 16833405 DOI: 10.1021/Jp0450843 |
0.314 |
|
| 2005 |
Lin X, Zhao C, Phillips DL. Modeling SN2 reactions in methanol solution by ab initio calculation of nucleophile solvent-substrate clusters. The Journal of Organic Chemistry. 70: 9279-87. PMID 16268600 DOI: 10.1021/Jo051280+ |
0.409 |
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| 2005 |
Zhao C, Lin X, Kwok WM, Guan X, Du Y, Wang D, Hung KF, Phillips DL. 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. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 1093-108. PMID 15742469 DOI: 10.1002/Chem.200400695 |
0.333 |
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| 2005 |
Li YL, Zhao C, Guan X, Phillips DL. Ab initio investigation of the O-H insertion reactions of CH2X-X (X = Cl, Br, I) isopolyhalomethanes with water Research On Chemical Intermediates. 31: 557-565. DOI: 10.1163/1568567054909104 |
0.36 |
|
| 2005 |
Lin X, Zhao C, Phillips DL. An ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OH Molecular Simulation. 31: 483-488. DOI: 10.1080/08927020412331337050 |
0.335 |
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| 2005 |
Fang R, Geng Z, Wang Y, Zhao C, Yang L, Zhang X. Theoretical study of the insertion reaction of CH3O–H by singlet alkylidenecarbenes Chemical Physics Letters. 414: 174-179. DOI: 10.1016/J.Cplett.2005.08.065 |
0.336 |
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| 2004 |
Wang D, Zhao C, Phillips DL. Samarium(III) carbenoid as a competing reactive species in samarium-promoted cyclopropanation reactions. The Journal of Organic Chemistry. 69: 5512-5. PMID 15287811 DOI: 10.1021/Jo0494679 |
0.403 |
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| 2004 |
Kwok WM, Zhao C, Li YL, Guan X, Phillips DL. 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. The Journal of Chemical Physics. 120: 3323-32. PMID 15268486 DOI: 10.1063/1.1640997 |
0.327 |
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| 2004 |
Kwok WM, Zhao C, Guan X, Li YL, Du Y, Phillips DL. 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. The Journal of Chemical Physics. 120: 9017-32. PMID 15267837 DOI: 10.1063/1.1701699 |
0.301 |
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| 2004 |
Kwok WM, Zhao C, Li YL, Guan X, Wang D, Phillips DL. Water-catalyzed dehalogenation reactions of isobromoform and its reaction products. Journal of the American Chemical Society. 126: 3119-31. PMID 15012142 DOI: 10.1021/Ja0390552 |
0.35 |
|
| 2004 |
Wang D, Zhao C, Phillips DL. A Theoretical Study of Divalent Lanthanide (Sm and Yb) Complexes with a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand Organometallics. 23: 1953-1960. DOI: 10.1021/Om034243M |
0.364 |
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| 2004 |
Lin X, Zhao C, Phillips DL. 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 Chemical Physics Letters. 397: 488-494. DOI: 10.1016/J.Cplett.2004.09.017 |
0.373 |
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| 2003 |
Zhao C, Wang D, Phillips DL. Theoretical study of samarium (II) carbenoid (ISmCH2I) promoted cyclopropanation reactions with ethylene and the effect of THF solvent on the reaction pathways. Journal of the American Chemical Society. 125: 15200-9. PMID 14653755 DOI: 10.1021/Ja030280T |
0.42 |
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| 2003 |
Zhao C, Wang D, Phillips DL. 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 Journal of Theoretical and Computational Chemistry. 2: 357-369. DOI: 10.1142/S0219633603000549 |
0.387 |
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| 2003 |
Li Y, Zhao C, Kwok WM, Guan X, Zuo P, Phillips DL. 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 Journal of Chemical Physics. 119: 4671-4681. DOI: 10.1063/1.1595636 |
0.365 |
|
| 2002 |
Zhao C, Wang D, Phillips DL. 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). Journal of the American Chemical Society. 124: 12903-14. PMID 12392439 DOI: 10.1021/Ja020965D |
0.411 |
|
| 2002 |
Ng SM, Zhao C, Lin Z. Theoretical studies on the β-hydrogen elimination reactions of palladium and platinum alkoxide complexes containing bidentate ligands Journal of Organometallic Chemistry. 662: 120-129. DOI: 10.1016/S0022-328X(02)01898-3 |
0.325 |
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