| Year |
Citation |
Score |
| 2023 |
Cao YC, Shi LL, Li M, You B, Liao RZ. Deciphering the Selectivity of the Electrochemical CO Reduction to CO by a Cobalt Porphyrin Catalyst in Neutral Aqueous Solution: Insights from DFT Calculations. Chemistryopen. 12: e202200254. PMID 36744721 DOI: 10.1002/open.202200254 |
0.315 |
|
| 2022 |
Shi LL, Li M, You B, Liao RZ. Theoretical Study on the Electro-Reduction of Carbon Dioxide to Methanol Catalyzed by Cobalt Phthalocyanine. Inorganic Chemistry. PMID 36216788 DOI: 10.1021/acs.inorgchem.2c00739 |
0.316 |
|
| 2022 |
Qin J, Zhou T, Zhou TP, Tang L, Zuo H, Yu H, Wu G, Wu Y, Liao RZ, Zhong F. Catalytic Atroposelective Electrophilic Amination of Indoles. Angewandte Chemie (International Ed. in English). e202205159. PMID 35612900 DOI: 10.1002/anie.202205159 |
0.31 |
|
| 2022 |
Zhang YQ, Li YY, Maseras F, Liao RZ. Mechanism and selectivity of photocatalyzed CO reduction by a function-integrated Ru catalyst. Dalton Transactions (Cambridge, England : 2003). PMID 35168249 DOI: 10.1039/d1dt03825g |
0.332 |
|
| 2021 |
Deng WH, Lu Y, Liao RZ. Revealing the Mechanism of Isethionate Sulfite-Lyase by QM/MM Calculations. Journal of Chemical Information and Modeling. PMID 34806370 DOI: 10.1021/acs.jcim.1c00978 |
0.37 |
|
| 2021 |
Chen QF, Cheng ZY, Liao RZ, Zhang MT. Bioinspired Trinuclear Copper Catalyst for Water Oxidation with a Turnover Frequency up to 20000 s. Journal of the American Chemical Society. PMID 34793144 DOI: 10.1021/jacs.1c08078 |
0.301 |
|
| 2021 |
Wan X, Li M, Liao RZ. Ligand assisted hydride transfer: a pivotal step for CO₂ hydroboration catalyzed by a mononuclear Mn(I) PNP complex. Chemistry, An Asian Journal. PMID 34278731 DOI: 10.1002/asia.202100582 |
0.403 |
|
| 2021 |
Zhou TP, Zhong F, Wu Y, Liao RZ. Regioselectivity and stereoselectivity of intramolecular [2 + 2] photocycloaddition catalyzed by chiral thioxanthone: a quantum chemical study. Organic & Biomolecular Chemistry. PMID 33503099 DOI: 10.1039/d0ob02330b |
0.354 |
|
| 2020 |
Siegbahn PEM, Liao RZ. Energetics for Proton Reduction in FeFe Hydrogenase. The Journal of Physical Chemistry. A. PMID 33275428 DOI: 10.1021/acs.jpca.0c08705 |
0.595 |
|
| 2020 |
Zhang X, Li YY, Jiang J, Zhang R, Liao RZ, Wang M. A Dinuclear Copper Complex Featuring a Flexible Linker as Water Oxidation Catalyst with an Activity Far Superior to Its Mononuclear Counterpart. Inorganic Chemistry. PMID 32223144 DOI: 10.1021/acs.inorgchem.9b03783 |
0.355 |
|
| 2020 |
Yang Y, Yang J, Li F, Liao R, Duan L. Water Oxidation Catalyzed by Ruthenium Complexes with 4‐Hydroxypyridine‐2,6‐dicarboxylate as a Negatively Charged Tridentate Ligand European Journal of Inorganic Chemistry. 2020: 2238-2245. DOI: 10.1002/Ejic.202000184 |
0.351 |
|
| 2019 |
Zhao LM, Lei T, Liao RZ, Xiao H, Chen B, Ramamurthy V, Tung CH, Wu LZ. Visible-Light-Triggered Selective Intermolecular [2+2] Cycloaddition of Extended Enones: 2-Oxo-3-enoates and 2,4-Dien-1-ones with Olefins. The Journal of Organic Chemistry. PMID 31260303 DOI: 10.1021/Acs.Joc.9B01273 |
0.356 |
|
| 2019 |
Liao RZ, Siegbahn PEM. Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase. Inorganic Chemistry. PMID 31141352 DOI: 10.1021/acs.inorgchem.9b00644 |
0.592 |
|
| 2019 |
Li YY, Gimbert C, Llobet A, Siegbahn PEM, Liao RZ. Quantum Chemical Study of the Mechanism of Water Oxidation Catalyzed by a Heterotrinuclear Ru2Mn Complex. Chemsuschem. PMID 30604589 DOI: 10.1002/Cssc.201802395 |
0.641 |
|
| 2019 |
Siegbahn PEM, Chen S, Liao R. Theoretical Studies of Nickel-Dependent Enzymes Inorganics. 7: 95. DOI: 10.3390/INORGANICS7080095 |
0.607 |
|
| 2018 |
Kärkäs MD, Li YY, Siegbahn PEM, Liao RZ, Åkermark B. Metal-Ligand Cooperation in Single-Site Ruthenium Water Oxidation Catalysts: A Combined Experimental and Quantum Chemical Approach. Inorganic Chemistry. PMID 30133266 DOI: 10.1021/Acs.Inorgchem.8B01527 |
0.622 |
|
| 2018 |
Qian HX, Liao RZ. QM/MM Study of Tungsten-Dependent Benzoyl-Coenzyme A Reductase: Rationalization of Regioselectivity and Predication of W vs Mo Selectivity. Inorganic Chemistry. PMID 30106574 DOI: 10.1021/acs.inorgchem.8b01328 |
0.411 |
|
| 2018 |
Zhang H, Yang L, Ma YY, Zhu C, Lin S, Liao RZ. Theoretical Studies on Catalysis Mechanisms of Serum Paraoxonase 1 and Phosphotriesterase Diisopropyl Fluorophosphatase Suggest the Alteration of Substrate Preference from Paraoxonase to DFP. Molecules (Basel, Switzerland). 23. PMID 29986514 DOI: 10.3390/molecules23071660 |
0.321 |
|
| 2018 |
Li YY, Tong LP, Liao RZ. Mechanism of Water Oxidation Catalyzed by a Mononuclear Iron Complex with a Square Polypyridine Ligand: A DFT Study. Inorganic Chemistry. PMID 29600856 DOI: 10.1021/acs.inorgchem.8b00333 |
0.354 |
|
| 2018 |
Liao R, Masaoka S, Siegbahn PEM. Metal Oxidation States for the O–O Bond Formation in the Water Oxidation Catalyzed by a Pentanuclear Iron Complex Acs Catalysis. 8: 11671-11678. DOI: 10.1021/acscatal.8b02791 |
0.583 |
|
| 2018 |
Wei W, Siegbahn PEM, Liao R. Mechanism of the Dinuclear Iron Enzyme
p
‐Aminobenzoate N‐oxygenase from Density Functional Calculations Chemcatchem. 11: 601-613. DOI: 10.1002/cctc.201801072 |
0.569 |
|
| 2017 |
Zhang YQ, Liao RZ. Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study. Physical Chemistry Chemical Physics : Pccp. 19: 32589-32596. PMID 29192296 DOI: 10.1039/c7cp06222b |
0.344 |
|
| 2017 |
Liao RZ, Siegbahn P. Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis. Chemsuschem. PMID 28875583 DOI: 10.1002/cssc.201701374 |
0.623 |
|
| 2017 |
Wei WJ, Siegbahn PE, Liao RZ. Theoretical Study of the Mechanism of the Nonheme Iron Enzyme EgtB. Inorganic Chemistry. PMID 28277674 DOI: 10.1021/acs.inorgchem.6b03177 |
0.652 |
|
| 2017 |
Liao R, Siegbahn PE. Possible water association and oxidation mechanisms for a recently synthesized Mn4Ca-complex Journal of Catalysis. 354: 169-181. DOI: 10.1016/j.jcat.2017.07.016 |
0.579 |
|
| 2017 |
Liao R, Siegbahn PEM. Cover Feature: Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis (ChemSusChem 22/2017) Chemsuschem. 10: 4225-4225. DOI: 10.1002/cssc.201702128 |
0.565 |
|
| 2016 |
Abdel-Magied AF, Shatskiy A, Liao RZ, Laine TM, Arafa WA, Siegbahn PE, Kärkäs MD, Åkermark B, Johnston EV. Chemical and Photochemical Water Oxidation Mediated by an Efficient Single-Site Ruthenium Catalyst. Chemsuschem. PMID 27966290 DOI: 10.1002/Cssc.201601171 |
0.603 |
|
| 2016 |
Li Y, Ye K, Siegbahn PE, Liao RZ. Mechanism of Water Oxidation Catalysed by a Mononuclear Manganese Complex [Py2N(tBu)2Mn(H2O)2]2. Chemsuschem. PMID 27925413 DOI: 10.1002/cssc.201601538 |
0.639 |
|
| 2016 |
Ai Y, Xia SH, Liao RZ. Theoretical Studies on the Photochemistry of Pentose Amino-oxazoline, a Hypothetical Intermediate Product in Prebiotic Synthetic Scenario of RNA Nucleotides. The Journal of Physical Chemistry. B. PMID 27525736 DOI: 10.1021/Acs.Jpcb.6B06061 |
0.353 |
|
| 2016 |
Liao RZ, Chen SL, Siegbahn PE. Unraveling the Mechanism and Regioselectivity of the B12-Dependent Reductive Dehalogenase PceA. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27459105 DOI: 10.1002/chem.201601575 |
0.635 |
|
| 2016 |
Das B, Lee BL, Karlsson EA, Åkermark T, Shatskiy A, Demeshko S, Liao RZ, Laine TM, Haukka M, Zeglio E, Abdel-Magied AF, Siegbahn PE, Meyer F, Kärkäs MD, Johnston EV, et al. Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework. Dalton Transactions (Cambridge, England : 2003). PMID 27265239 DOI: 10.1039/C6Dt01554A |
0.603 |
|
| 2016 |
Ye K, Li YY, Liao RZ. DFT study of the mechanism of hydrogen evolution catalysed by molecular Ni, Co and Fe catalysts containing a diamine-tripyridine ligand Rsc Advances. 6: 90035-90045. DOI: 10.1039/c6ra20721a |
0.317 |
|
| 2016 |
Liao R, Kärkäs MD, Laine TM, Åkermark B, Siegbahn PEM. On the mechanism of water oxidation catalyzed by a dinuclear ruthenium complex: a quantum chemical study Catalysis Science & Technology. 6: 5031-5041. DOI: 10.1039/C6Cy00083E |
0.654 |
|
| 2016 |
Kärkäs MD, Liao RZ, Laine TM, Åkermark T, Ghanem S, Siegbahn PEM, Åkermark B. Molecular ruthenium water oxidation catalysts carrying non-innocent ligands: Mechanistic insight through structure-activity relationships and quantum chemical calculations Catalysis Science and Technology. 6: 1306-1319. DOI: 10.1039/C5Cy01704A |
0.672 |
|
| 2016 |
Liao RZ, Santoro S, Gotsev M, Marcelli T, Himo F. Origins of Stereoselectivity in Peptide-Catalyzed Kinetic Resolution of Alcohols Acs Catalysis. 6: 1165-1171. DOI: 10.1021/Acscatal.5B02131 |
0.773 |
|
| 2016 |
Xu C, Yang L, Yu JG, Liao RZ. What roles do the residue Asp229 and the coordination variation of calcium play of the reaction mechanism of the diisopropyl-fluorophosphatase? A DFT investigation Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1896-7 |
0.468 |
|
| 2015 |
Huang G, Kalek M, Liao RZ, Himo F. Mechanism, reactivity, and selectivity of the iridium-catalyzed C(sp(3))-H borylation of chlorosilanes. Chemical Science. 6: 1735-1746. PMID 29163873 DOI: 10.1039/C4Sc01592D |
0.791 |
|
| 2015 |
Liao RZ, Siegbahn PEM. Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB. Chemical Science. 6: 2754-2764. PMID 28706665 DOI: 10.1039/C5Sc00313J |
0.667 |
|
| 2015 |
Liao RZ, Siegbahn PE. Phosphate Hydrolysis by the Fe2-Ca3-Dependent Alkaline Phosphatase PhoX: Mechanistic Insights from DFT calculations. Inorganic Chemistry. PMID 26651528 DOI: 10.1021/Acs.Inorgchem.5B02268 |
0.651 |
|
| 2015 |
Rabten W, Kärkäs MD, Åkermark T, Chen H, Liao RZ, Tinnis F, Sun J, Siegbahn PE, Andersson PG, Åkermark B. Catalytic water oxidation by a molecular ruthenium complex: unexpected generation of a single-site water oxidation catalyst. Inorganic Chemistry. 54: 4611-20. PMID 25945608 DOI: 10.1021/Ic502755C |
0.645 |
|
| 2015 |
Liao RZ, Wang M, Sun L, Siegbahn PE. The mechanism of hydrogen evolution in Cu(bztpen)-catalysed water reduction: a DFT study. Dalton Transactions (Cambridge, England : 2003). 44: 9736-9. PMID 25928325 DOI: 10.1039/C5Dt01008J |
0.576 |
|
| 2015 |
Laine TM, Kärkäs MD, Liao RZ, Siegbahn PE, Åkermark B. A Dinuclear Ruthenium-Based Water Oxidation Catalyst: Use of Non-Innocent Ligand Frameworks for Promoting Multi-Electron Reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 25925847 DOI: 10.1002/Chem.201406613 |
0.645 |
|
| 2015 |
Su XJ, Gao M, Jiao L, Liao RZ, Siegbahn PE, Cheng JP, Zhang MT. Electrocatalytic water oxidation by a dinuclear copper complex in a neutral aqueous solution. Angewandte Chemie (International Ed. in English). 54: 4909-14. PMID 25678035 DOI: 10.1002/Anie.201411625 |
0.645 |
|
| 2015 |
Santoro S, Liao RZ, Marcelli T, Hammar P, Himo F. Theoretical study of mechanism and stereoselectivity of catalytic Kinugasa reaction. The Journal of Organic Chemistry. 80: 2649-60. PMID 25654279 DOI: 10.1021/Jo502838P |
0.809 |
|
| 2015 |
Laine TM, Kärkäs MD, Liao RZ, Åkermark T, Lee BL, Karlsson EA, Siegbahn PE, Åkermark B. Efficient photochemical water oxidation by a dinuclear molecular ruthenium complex. Chemical Communications (Cambridge, England). 51: 1862-5. PMID 25525645 DOI: 10.1039/C4Cc08606F |
0.612 |
|
| 2015 |
Liao RZ, Kärkäs MD, Lee BL, Åkermark B, Siegbahn PE. Photosystem II like water oxidation mechanism in a bioinspired tetranuclear manganese complex. Inorganic Chemistry. 54: 342-51. PMID 25486382 DOI: 10.1021/Ic5024983 |
0.672 |
|
| 2015 |
Liao RZ, Siegbahn PEM. Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB Chemical Science. 6: 2754-2764. DOI: 10.1039/c5sc00313j |
0.511 |
|
| 2015 |
Liao RZ, Chen SL, Siegbahn PEM. Which Oxidation State Initiates Dehalogenation in the B12-Dependent Enzyme NpRdhA: CoII, CoI, or Co0? Acs Catalysis. 5: 7350-7358. DOI: 10.1021/Acscatal.5B01502 |
0.638 |
|
| 2015 |
Laine TM, Kärkäs MD, Liao R, Siegbahn PEM, Åkermark B. Inside Cover: A Dinuclear Ruthenium-Based Water Oxidation Catalyst: Use of Non-Innocent Ligand Frameworks for Promoting Multi-Electron Reactions (Chem. Eur. J. 28/2015) Chemistry - a European Journal. 21: 9918-9918. DOI: 10.1002/Chem.201590123 |
0.603 |
|
| 2014 |
Liao RZ, Siegbahn PE. Mechanism for OO bond formation in a biomimetic tetranuclear manganese cluster - A density functional theory study. Journal of Photochemistry and Photobiology. B, Biology. PMID 25534173 DOI: 10.1016/J.Jphotobiol.2014.12.005 |
0.668 |
|
| 2014 |
Chen SL, Liao RZ. Phosphate monoester hydrolysis by trinuclear alkaline phosphatase; DFT study of transition States and reaction mechanism. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2321-30. PMID 24683174 DOI: 10.1002/Cphc.201402016 |
0.472 |
|
| 2014 |
Arafa WA, Kärkäs MD, Lee BL, Åkermark T, Liao RZ, Berends HM, Messinger J, Siegbahn PE, Åkermark B. Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity. Physical Chemistry Chemical Physics : Pccp. 16: 11950-64. PMID 24554036 DOI: 10.1039/C3Cp54800G |
0.651 |
|
| 2014 |
Blomberg MR, Borowski T, Himo F, Liao RZ, Siegbahn PE. Quantum chemical studies of mechanisms for metalloenzymes. Chemical Reviews. 114: 3601-58. PMID 24410477 DOI: 10.1021/Cr400388T |
0.732 |
|
| 2014 |
Liao RZ, Siegbahn PEM. Which oxidation state leads to O-O bond formation in CpIr(bpy)Cl-catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)? Acs Catalysis. 4: 3937-3949. DOI: 10.1021/Cs501160X |
0.66 |
|
| 2014 |
Liao RZ, Li XC, Siegbahn PEM. Reaction mechanism of water oxidation catalyzed by iron tetraamido macrocyclic ligand complexes - A DFT study European Journal of Inorganic Chemistry. 728-741. DOI: 10.1002/Ejic.201300710 |
0.679 |
|
| 2014 |
Karlsson EA, Lee BL, Liao RZ, Åkermark T, Kärkäs MD, Becerril VS, Siegbahn PEM, Zou X, Abrahamsson M, Åkermark B. Synthesis and electron-transfer processes in a new family of ligands for coupled Ru-Mn2 complexes Chempluschem. 79: 936-950. DOI: 10.1002/Cplu.201402006 |
0.634 |
|
| 2013 |
Liao RZ, Thiel W. Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase. Journal of Computational Chemistry. 34: 2389-97. PMID 23913757 DOI: 10.1002/Jcc.23403 |
0.505 |
|
| 2013 |
Liao RZ, Thiel W. On the effect of varying constraints in the quantum mechanics only modeling of enzymatic reactions: the case of acetylene hydratase. The Journal of Physical Chemistry. B. 117: 3954-61. PMID 23517056 DOI: 10.1021/Jp311705S |
0.487 |
|
| 2013 |
Liao RZ, Thiel W. Determinants of regioselectivity and chemoselectivity in fosfomycin resistance protein FosA from QM/MM calculations. The Journal of Physical Chemistry. B. 117: 1326-36. PMID 23320732 DOI: 10.1021/Jp4002719 |
0.642 |
|
| 2013 |
Liao RZ. Why is the molybdenum-substituted tungsten-dependent formaldehyde ferredoxin oxidoreductase not active? A quantum chemical study Journal of Biological Inorganic Chemistry. 18: 175-181. PMID 23183892 DOI: 10.1007/S00775-012-0961-5 |
0.519 |
|
| 2012 |
Liao RZ, Thiel W. Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase. Journal of Chemical Theory and Computation. 8: 3793-803. PMID 26593020 DOI: 10.1021/Ct3000684 |
0.539 |
|
| 2012 |
Ai YJ, Liao RZ, Fang WH, Luo Y. Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore. Physical Chemistry Chemical Physics : Pccp. 14: 13409-14. PMID 22941238 DOI: 10.1039/C2Cp41959A |
0.386 |
|
| 2012 |
Liao RZ, Thiel W. Why is the oxidation state of iron crucial for the activity of heme-dependent aldoxime dehydratase? A QM/MM study. The Journal of Physical Chemistry. B. 116: 9396-408. PMID 22799447 DOI: 10.1021/Jp305510C |
0.607 |
|
| 2012 |
Yang L, Liao R, Ding W, Liu K, Yu J, Liu R. Why calcium inhibits magnesium-dependent enzyme phosphoserine phosphatase? A theoretical study Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-012-1275-Y |
0.706 |
|
| 2012 |
Nordin M, Liao R, Ahlford K, Adolfsson H, Himo F. Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes Chemcatchem. 4: 1095-1104. DOI: 10.1002/Cctc.201200045 |
0.723 |
|
| 2011 |
Liao RZ, Yu JG, Himo F. Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation. Journal of Chemical Theory and Computation. 7: 1494-501. PMID 26610140 DOI: 10.1021/Ct200031T |
0.711 |
|
| 2011 |
Santoro S, Liao RZ, Himo F. Theoretical study of mechanism and selectivity of copper-catalyzed C-H bond amidation of indoles. The Journal of Organic Chemistry. 76: 9246-52. PMID 21978323 DOI: 10.1021/Jo201447E |
0.804 |
|
| 2011 |
Ai YJ, Liao RZ, Chen SL, Hua WJ, Fang WH, Luo Y. Repair of DNA Dewar photoproduct to (6-4) photoproduct in (6-4) photolyase. The Journal of Physical Chemistry. B. 115: 10976-82. PMID 21834563 DOI: 10.1021/Jp204128K |
0.317 |
|
| 2011 |
Liao RZ, Yu JG, Himo F. Tungsten-dependent formaldehyde ferredoxin oxidoreductase: reaction mechanism from quantum chemical calculations. Journal of Inorganic Biochemistry. 105: 927-36. PMID 21530474 DOI: 10.1016/J.Jinorgbio.2011.03.020 |
0.763 |
|
| 2011 |
Liu YF, Liao RZ, Ding WJ, Yu JG, Liu RZ. Theoretical investigation of the first-shell mechanism of acetylene hydration catalyzed by a biomimetic tungsten complex. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 745-52. PMID 21476050 DOI: 10.1007/S00775-011-0775-X |
0.753 |
|
| 2011 |
Liao RZ, Georgieva P, Yu JG, Himo F. Mechanism of mycolic acid cyclopropane synthase: a theoretical study. Biochemistry. 50: 1505-13. PMID 21241051 DOI: 10.1021/Bi101493P |
0.751 |
|
| 2011 |
Jalilian E, Liao R, Himo F, Brismar H, Laurell F, Lidin S. Luminescence properties of the Cu4I62− cluster Crystengcomm. 13: 4729. DOI: 10.1039/C0Ce00909A |
0.68 |
|
| 2011 |
Liao R, Himo F. Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase Acs Catalysis. 1: 937-944. DOI: 10.1021/Cs200242M |
0.737 |
|
| 2011 |
Jalilian E, Liao R, Himo F, Lidin S. Luminescence properties of monoclinic Cu4I4(Piperidine)4 Materials Research Bulletin. 46: 1192-1196. DOI: 10.1016/J.Materresbull.2011.04.012 |
0.666 |
|
| 2010 |
Liao RZ, Yu JG, Himo F. Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations. Proceedings of the National Academy of Sciences of the United States of America. 107: 22523-7. PMID 21149684 DOI: 10.1073/Pnas.1014060108 |
0.768 |
|
| 2010 |
Ai YJ, Liao RZ, Chen SF, Luo Y, Fang WH. Theoretical studies on photoisomerizations of (6-4) and Dewar photolesions in DNA. The Journal of Physical Chemistry. B. 114: 14096-102. PMID 20961081 DOI: 10.1021/Jp107873W |
0.309 |
|
| 2010 |
Liao RZ, Yu JG, Himo F. Phosphate mono- and diesterase activities of the trinuclear zinc enzyme nuclease P1--insights from quantum chemical calculations. Inorganic Chemistry. 49: 6883-8. PMID 20604512 DOI: 10.1021/Ic100266N |
0.742 |
|
| 2010 |
Li X, Liao RZ, Zhou W, Chen G. DFT studies of the degradation mechanism of methyl mercury activated by a sulfur-rich ligand. Physical Chemistry Chemical Physics : Pccp. 12: 3961-71. PMID 20379488 DOI: 10.1039/B918402C |
0.435 |
|
| 2010 |
Liao RZ, Yu JG, Himo F. Reaction mechanism of the trinuclear zinc enzyme phospholipase C: a density functional theory study. The Journal of Physical Chemistry. B. 114: 2533-40. PMID 20121060 DOI: 10.1021/Jp910992F |
0.769 |
|
| 2010 |
Qi N, Liao RZ, Yu JG, Liu RZ. DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex. Journal of Computational Chemistry. 31: 1376-84. PMID 20020486 DOI: 10.1002/Jcc.21422 |
0.732 |
|
| 2010 |
Liao RZ, Himo F, Yu JG, Liu RZ. Dipeptide hydrolysis by the dinuclear zinc enzyme human renal dipeptidase: mechanistic insights from DFT calculations. Journal of Inorganic Biochemistry. 104: 37-46. PMID 19879002 DOI: 10.1016/J.Jinorgbio.2009.09.025 |
0.815 |
|
| 2009 |
Yang L, Liao RZ, Yu JG, Liu RZ. DFT study on the mechanism of Escherichia coli inorganic pyrophosphatase. The Journal of Physical Chemistry. B. 113: 6505-10. PMID 19366250 DOI: 10.1021/Jp810003W |
0.736 |
|
| 2009 |
Liao RZ, Yu JG, Himo F. Reaction mechanism of the dinuclear zinc enzyme N-acyl-L-homoserine lactone hydrolase: a quantum chemical study. Inorganic Chemistry. 48: 1442-8. PMID 19159270 DOI: 10.1021/Ic801531N |
0.756 |
|
| 2009 |
Liao R, Himo F, Yu J, Liu R. Theoretical Study of the RNA Hydrolysis Mechanism of the Dinuclear Zinc Enzyme RNase Z European Journal of Inorganic Chemistry. 2009: 2967-2972. DOI: 10.1002/Ejic.200900202 |
0.782 |
|
| 2008 |
Liao RZ, Yu JG, Raushel FM, Himo F. Theoretical investigation of the reaction mechanism of the dinuclear zinc enzyme dihydroorotase. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 4287-92. PMID 18366031 DOI: 10.1002/Chem.200701948 |
0.766 |
|
| 2008 |
Liao RZ, Ding WJ, Yu JG, Fang WH, Liu RZ. Theoretical studies on pyridoxal 5'-phosphate-dependent transamination of alpha-amino acids. Journal of Computational Chemistry. 29: 1919-29. PMID 18366019 DOI: 10.1002/Jcc.20958 |
0.693 |
|
| 2007 |
Li JQ, Liao RZ, Ding WJ, Cheng Y. Highly efficient and site-selective [3 + 2] cycloaddition of carbene-derived ambident dipoles with ketenes for a straightforward synthesis of spiro-pyrrolidones. The Journal of Organic Chemistry. 72: 6266-9. PMID 17629341 DOI: 10.1021/Jo070759U |
0.366 |
|
| 2007 |
Liao RZ, Ding WJ, Yu JG, Fang WH, Liu RZ. Water-assisted transamination of glycine and formaldehyde. The Journal of Physical Chemistry. A. 111: 3184-90. PMID 17394297 DOI: 10.1021/Jp070130V |
0.713 |
|
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