H-index: 13
Total citations: 371
2014
46. Wangchuk Rabten, Markus D. Kärkäs, Torbjörn Åkermark, Hong Chen, Rong-Zhen Liao, Fredrik Tinnis, Junliang Sun, Per E. M. Siegbahn, Pher G. Andersson, Björn Åkermark
Catalytic Water Oxidation by a Molecular Ruthenium Complex: Unexpected Generation of a Single-Site Water Oxidation Catalyst
Submitted for publication.
45. Xiao-Jun Su, Meng, Gao, Lei, Jiao, Rong-Zhen Liao*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*
Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution
Submitted for publication.
44. Rong-Zhen Liao*, Per E. M. Siegbahn*
Mechanism of O-O Bond Formation in a Biomimetic Tetranuclear Manganese Cluster – A Density Functional Theory Study
J. Photochem. Photobiol. B 2014, in press.
43. Rong-Zhen Liao*, Markus D. Kärkäs, Bao-Lin Lee, Björn Åkermark, Per E. M. Siegbahn*
Photosystem II Like Water Oxidation Mechanism in a Bioinspired Tetranuclear Manganese Complex
Inorg. Chem. 2014, in press.
42.Genping Huang, Marcin Kalek, Rong-Zhen Liao, Fahmi Himo
Mechanism, Reactivity, and Selectivity of Iridium-Catalyzed C(sp3)-H Borylation
Chem. Sci. 2014, in press.
41.Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Torbjörn Åkermark, Bao-Lin Lee, Erik A. Karlsson, Per E. M. Siegbahn, Björn Åkermark*
Water Oxidation Catalysis by a Dinuclear Ruthenium Complex: Use of Non-innocent Ligand Frameworks for Promoting Multi-electron Reactions
Chem. Comm. 2014, in press.
40. Markus D. Kärkäs*, Rong-Zhen Liao*, Tanja M. Laine, Torbjörn Åkermark, Shams R. Karim, Per E. M. Siegbahn, Björn Åkermark*
Insight into Water Oxidation through Structure-Activity Relationships for Molecular Ruthenium Complexes Carrying Redox-Active Ligands
Submitted for publication.
39. Rong-Zhen Liao*, Per E. M. Siegbahn*
Which oxidation state leads to O-O bond formation in Cp*Ir(bpy)Cl catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)?
ACS Cat. 2014, 4, 3937-3949. [pdf]
38. Shi-Lu Chen*, Rong-Zhen Liao*
Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism
ChemPhysChem 2014, 15, 2321-2330.[pdf]
37. Erik A. Karlsson, Bao-Lin Lee, Rong-Zhen Liao, Torbjörn Åkermark, Markus D. Kärkäs, Valeria Saavedra Becerril, Per E. M. Siegbahn, Xiaodong Zou, Maria Abrahamsson, Björn Åkermark
Synthesis and electron transfer processes in a new family of coupled Mn2Ru complexes
ChemPlusChem, 2014, 79, 936-850. [pdf]
36. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao, Per E. M. Siegbahn
Quantum Chemical Studies of Mechanisms for Metalloenzymes
Chemical Reviews, 2014, 114, 3601-3658.[pdf]
35. Rong-Zhen Liao*, Xi-Chen Li, Per E. M. Siegbahn
Reaction Mechanism of Water Oxidation Catalyzed by Iron-TAML Complex, A DFT Study
Eur. J. Inorg. Chem. 2014, 728-741. [pdf]
34. Wael A. A. Arafa, Markus D. Kärkäs, Bao-Lin Lee, Torbjörn Åkermark, Rong-Zhen Liao, Hans-Martin Berends, Johannes Messinger, Per E. M. Siegbahn, Björn Åkermark
Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity
Phys. Chem. Chem. Phys. 2014, 16, 11950-11964. [pdf]
2013
33. Rong-Zhen Liao, Walter Thiel
Convergence in the QM-only and QM/MM Modeling of Enzymatic Reactions: a Case Study for Acetylene Hydratase
J. Comput. Chem. 2013, 34, 2389-2397. [pdf]
32. Rong-Zhen Liao, Walter Thiel
On the Effect of Varying Constraints in the QM-Only Modeling of Enzymatic Reactions: the Case of Acetylene Hydratase
J. Phys. Chem. B. 2013, 117, 3954-3961. [pdf]
31. Rong-Zhen Liao, Walter Thiel
Determinants of Regioselectivity and Chemoselectivity in Fosfomycin Resistance Protein FosA from QM/MM Calculations
J. Phys. Chem. B. 2013, 117, 1326-1336. [pdf]
30. Rong-Zhen Liao*
Why Is the Molybdenum-substituted Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase not Active? A Quantum Chemical Study
J. Biol. Inorg. Chem. 2013, 18, 175-181. [pdf]
2012
29. Ling Yang, Rong-Zhen Liao*, Wan-Jian Ding, Jian-Guo Yu*, Kai Liu, Ruo-Zhuang Liu
Why Calcium Inhibits Magnesium-dependent Enzyme Phosphoserine Phosphatase? A Theoretical Study
Theor. Chem. Acc. 2012, 131, 1275. [pdf]
28. Rong-Zhen Liao, Walter Thiel
Comparison of QM-only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase
J. Chem. Theory Comput. 2012, 8, 3793-3803. [pdf]
27. Yue-Jie Ai, Rong-Zhen Liao, Wei-Hai Fang, Yi Luo
Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore
Phys. Chem. Chem. Phys. 2012, 14, 13409-13414. [pdf]
26. Rong-Zhen Liao, Walter Thiel
Why is the Oxidation State of Iron Crucial for the Activity of Heme-dependent Aldoxime Dehydratase? A QM/MM Study
J. Phys. Chem. B. 2012, 116, 9396-9408.[pdf]
25. Mikael Nordin, Rong-Zhen Liao, Katrin Ahlford, Hans Adolfsson, Fahmi Himo
Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes
ChemCatChem 2012, 4, 1095-1104.[pdf]
2011
24. Yue-Jie Ai, Guan-Jun Tian, Rong-Zhen Liao, Qiong Zhang, Wei-Hai Fang, Yi Luo
Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States
ChemPhysChem 2011, 12, 2899-2902. [pdf]
23. Stefano Santoro, Rong-Zhen Liao, Fahmi Himo
Theoretical Study of Mechanism and Selectivity of Copper-Catalyzed C-H Bond Amidation of Indoles
J. Org. Chem. 2011, 76, 9246-9252. [pdf]
22. Yue-Jie Ai, Rong-Zhen Liao, Shi-Lu Chen, Wei-Jie Hua, Wei-Hai Fang, Yi Luo
Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase
J. Phys. Chem. B. 2011, 115, 10976-10982. [pdf]
21. Rong-Zhen Liao, Fahmi Himo
Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase
ACS Catal. 2011, 1, 937-944. [pdf]
20. Ehsan Jalilian, Rong-Zhen Liao, Fahmi Himo, Sven Lidin
Luminescence Properties of monoclinic Cu4I4(Piperidine)4
Mat. Res. Bull. 2011, 46, 1192-1196. [pdf]
19.Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase: Reaction Mechanism from Quantum Chemical
Calculations
J. Inorg. Biochem. 2011, 105, 927-936. [pdf]
18. Yan-Fang Liu, Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Ruo-Zhuang Liu
Theoretical Investigation of the First-shell Mechanism of Acetylene Hydration Catalyzed by a Biomimetic Tungsten
Complex
J. Biol. Inorg. Chem. 2011, 16, 745-752. [pdf]
17. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Quantum Chemical Modeling of Enzymatic Reactions: The Case ofDecarboxylation
J. Chem. Theory Comput. 2011, 7, 1494-1501. [pdf]
16. Rong-Zhen Liao, Polina Georgieva, Jian-Guo Yu, Fahmi Himo
Mechanism of Mycolic Acid Cyclopropane Synthase: A Theoretical Study
Biochemistry 2011, 50, 1505-1513. [pdf]
15. Ehsan Jalilian, Rong-Zhen Liao, Fahmi Himo, Hjalmar Brismar, Fredrik Laurell, Sven Lidin
Luminescence Properties of the Cu4I62- Cluster
CrystEngComm 2011, 13, 4729-4734. [pdf]
2010
14. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations
Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527. [pdf]
13. Yue-Jie Ai, Rong-Zhen Liao, Shu-Feng Chen, Yi Luo, Wei-Hai Fang
Theoretical Studies on photoisomerizations of (6-4) and Dewar Photolesions in DNA
J. Phys. Chem. B. 2010, 114, 14096-14102. [pdf]
12. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Phosphate Mono- and Diesterase Activities of the Trinuclear Zinc Enzyme Nuclease P1 – Insights from Quantum Chemical Calculations
Inorg. Chem. 2010, 49, 6883-6888. [pdf]
11. Na Qi, Rong-Zhen Liao, Jian-Guo Yu, Ruo-Zhuang Liu
DFT study of the Asymmetric Nitroaldol (Henry) Reaction Catalyzed by a Dinuclear Zn Complex
J. Comput. Chem. 2010, 31, 1376-1384. [pdf]
10. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Reaction Mechanism of the Trinuclear Zinc Enzyme Phospholipase C: A Density Functional Theory Study
J. Phys. Chem. B 2010, 114, 2533-2540. [pdf]
9. Rong-Zhen Liao, Fahmi Himo, Jian-Guo Yu, Ruo-Zhuang Liu
Dipeptide Hydrolysis by the Dinuclear Zinc Enzyme Human Renal Dipeptidase: Mechanistic Insights from DFT Calculations
J. Inorg. Biochem. 2010, 104, 37-46. [pdf]
8. Xi-Chen Li, Rong-Zhen Liao, Wen-Chang Zhou, Guang-Ju Chen
DFT Studies of the Degradation Mechanism of the Methyl-Mercury Activated by a Sulfur-rich Ligand
Phys. Chem. Chem. Phys. 2010, 12, 3961-3971. [pdf]
2009
7. Rong-Zhen Liao, Fahmi Himo, Jian-Guo Yu, Ruo-Zhuang Liu
Theoretical Study of the RNA Hydrolysis Mechanism of the Dinuclear Zinc Enzyme RNase Z
Eur. J. Inorg. Chem. 2009, 2967-2972. [pdf]
6. Ling Yang, Rong-Zhen Liao, Jian-Guo Yu, Ruo-Zhuang Liu
DFT Study on the Mechanism of Escherichia coliInorganic Pyrophosphatase
J. Phys. Chem. B 2009, 113, 6505-6510. [pdf]
5. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Reaction Mechanism of the Dinuclear Zinc Enzyme N-Acyl-L-homoserine Lactone Hydrolase: A Quantum Chemical Study
Inorg. Chem. 2009, 48, 1442-1448. [pdf]
2008
4. Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Wei-Hai Fang, Ruo-Zhuang Liu
Theoretical Studies on Pyridoxal 5'-Phosphate-Dependent Transamination of α-Amino Acids
J. Comput. Chem. 2008, 29, 1919-1929. [pdf]
3. Rong-Zhen Liao, Jian-Guo Yu, Frank M Raushel, Fahmi Himo
Theoretical Investigation of the Reaction Mechanism of the Dinuclear Zinc Enzyme Dihydroorotase
Chem. Eur. J. 2008, 14, 4287-4292. [pdf]
2007
2. Jia-Qi Li, Rong-Zhen Liao, Wan-Jian Ding, Ying Cheng
Highly Efficient and Site-Selective [3+2] Cycloaddition of Carbene-Derived Ambident Dipoles with Ketenes for a Straightforward Synthesis of Spiro-pyrrolidones
J. Org. Chem. 2007, 72, 6266-6269. [pdf]
1. Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Wei-Hai Fang, Ruo-Zhuang Liu
Water-Assisted Transamination of Glycine and Formaldehyde
J. Phys. Chem. A 2007, 111, 3184-3190. [pdf]
Total citations: 371
2014
46. Wangchuk Rabten, Markus D. Kärkäs, Torbjörn Åkermark, Hong Chen, Rong-Zhen Liao, Fredrik Tinnis, Junliang Sun, Per E. M. Siegbahn, Pher G. Andersson, Björn Åkermark
Catalytic Water Oxidation by a Molecular Ruthenium Complex: Unexpected Generation of a Single-Site Water Oxidation Catalyst
Submitted for publication.
45. Xiao-Jun Su, Meng, Gao, Lei, Jiao, Rong-Zhen Liao*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*
Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution
Submitted for publication.
44. Rong-Zhen Liao*, Per E. M. Siegbahn*
Mechanism of O-O Bond Formation in a Biomimetic Tetranuclear Manganese Cluster – A Density Functional Theory Study
J. Photochem. Photobiol. B 2014, in press.
43. Rong-Zhen Liao*, Markus D. Kärkäs, Bao-Lin Lee, Björn Åkermark, Per E. M. Siegbahn*
Photosystem II Like Water Oxidation Mechanism in a Bioinspired Tetranuclear Manganese Complex
Inorg. Chem. 2014, in press.
42.Genping Huang, Marcin Kalek, Rong-Zhen Liao, Fahmi Himo
Mechanism, Reactivity, and Selectivity of Iridium-Catalyzed C(sp3)-H Borylation
Chem. Sci. 2014, in press.
41.Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Torbjörn Åkermark, Bao-Lin Lee, Erik A. Karlsson, Per E. M. Siegbahn, Björn Åkermark*
Water Oxidation Catalysis by a Dinuclear Ruthenium Complex: Use of Non-innocent Ligand Frameworks for Promoting Multi-electron Reactions
Chem. Comm. 2014, in press.
40. Markus D. Kärkäs*, Rong-Zhen Liao*, Tanja M. Laine, Torbjörn Åkermark, Shams R. Karim, Per E. M. Siegbahn, Björn Åkermark*
Insight into Water Oxidation through Structure-Activity Relationships for Molecular Ruthenium Complexes Carrying Redox-Active Ligands
Submitted for publication.
39. Rong-Zhen Liao*, Per E. M. Siegbahn*
Which oxidation state leads to O-O bond formation in Cp*Ir(bpy)Cl catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)?
ACS Cat. 2014, 4, 3937-3949. [pdf]
38. Shi-Lu Chen*, Rong-Zhen Liao*
Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism
ChemPhysChem 2014, 15, 2321-2330.[pdf]
37. Erik A. Karlsson, Bao-Lin Lee, Rong-Zhen Liao, Torbjörn Åkermark, Markus D. Kärkäs, Valeria Saavedra Becerril, Per E. M. Siegbahn, Xiaodong Zou, Maria Abrahamsson, Björn Åkermark
Synthesis and electron transfer processes in a new family of coupled Mn2Ru complexes
ChemPlusChem, 2014, 79, 936-850. [pdf]
36. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao, Per E. M. Siegbahn
Quantum Chemical Studies of Mechanisms for Metalloenzymes
Chemical Reviews, 2014, 114, 3601-3658.[pdf]
35. Rong-Zhen Liao*, Xi-Chen Li, Per E. M. Siegbahn
Reaction Mechanism of Water Oxidation Catalyzed by Iron-TAML Complex, A DFT Study
Eur. J. Inorg. Chem. 2014, 728-741. [pdf]
34. Wael A. A. Arafa, Markus D. Kärkäs, Bao-Lin Lee, Torbjörn Åkermark, Rong-Zhen Liao, Hans-Martin Berends, Johannes Messinger, Per E. M. Siegbahn, Björn Åkermark
Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity
Phys. Chem. Chem. Phys. 2014, 16, 11950-11964. [pdf]
2013
33. Rong-Zhen Liao, Walter Thiel
Convergence in the QM-only and QM/MM Modeling of Enzymatic Reactions: a Case Study for Acetylene Hydratase
J. Comput. Chem. 2013, 34, 2389-2397. [pdf]
32. Rong-Zhen Liao, Walter Thiel
On the Effect of Varying Constraints in the QM-Only Modeling of Enzymatic Reactions: the Case of Acetylene Hydratase
J. Phys. Chem. B. 2013, 117, 3954-3961. [pdf]
31. Rong-Zhen Liao, Walter Thiel
Determinants of Regioselectivity and Chemoselectivity in Fosfomycin Resistance Protein FosA from QM/MM Calculations
J. Phys. Chem. B. 2013, 117, 1326-1336. [pdf]
30. Rong-Zhen Liao*
Why Is the Molybdenum-substituted Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase not Active? A Quantum Chemical Study
J. Biol. Inorg. Chem. 2013, 18, 175-181. [pdf]
2012
29. Ling Yang, Rong-Zhen Liao*, Wan-Jian Ding, Jian-Guo Yu*, Kai Liu, Ruo-Zhuang Liu
Why Calcium Inhibits Magnesium-dependent Enzyme Phosphoserine Phosphatase? A Theoretical Study
Theor. Chem. Acc. 2012, 131, 1275. [pdf]
28. Rong-Zhen Liao, Walter Thiel
Comparison of QM-only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase
J. Chem. Theory Comput. 2012, 8, 3793-3803. [pdf]
27. Yue-Jie Ai, Rong-Zhen Liao, Wei-Hai Fang, Yi Luo
Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore
Phys. Chem. Chem. Phys. 2012, 14, 13409-13414. [pdf]
26. Rong-Zhen Liao, Walter Thiel
Why is the Oxidation State of Iron Crucial for the Activity of Heme-dependent Aldoxime Dehydratase? A QM/MM Study
J. Phys. Chem. B. 2012, 116, 9396-9408.[pdf]
25. Mikael Nordin, Rong-Zhen Liao, Katrin Ahlford, Hans Adolfsson, Fahmi Himo
Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes
ChemCatChem 2012, 4, 1095-1104.[pdf]
2011
24. Yue-Jie Ai, Guan-Jun Tian, Rong-Zhen Liao, Qiong Zhang, Wei-Hai Fang, Yi Luo
Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States
ChemPhysChem 2011, 12, 2899-2902. [pdf]
23. Stefano Santoro, Rong-Zhen Liao, Fahmi Himo
Theoretical Study of Mechanism and Selectivity of Copper-Catalyzed C-H Bond Amidation of Indoles
J. Org. Chem. 2011, 76, 9246-9252. [pdf]
22. Yue-Jie Ai, Rong-Zhen Liao, Shi-Lu Chen, Wei-Jie Hua, Wei-Hai Fang, Yi Luo
Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase
J. Phys. Chem. B. 2011, 115, 10976-10982. [pdf]
21. Rong-Zhen Liao, Fahmi Himo
Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase
ACS Catal. 2011, 1, 937-944. [pdf]
20. Ehsan Jalilian, Rong-Zhen Liao, Fahmi Himo, Sven Lidin
Luminescence Properties of monoclinic Cu4I4(Piperidine)4
Mat. Res. Bull. 2011, 46, 1192-1196. [pdf]
19.Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase: Reaction Mechanism from Quantum Chemical
Calculations
J. Inorg. Biochem. 2011, 105, 927-936. [pdf]
18. Yan-Fang Liu, Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Ruo-Zhuang Liu
Theoretical Investigation of the First-shell Mechanism of Acetylene Hydration Catalyzed by a Biomimetic Tungsten
Complex
J. Biol. Inorg. Chem. 2011, 16, 745-752. [pdf]
17. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Quantum Chemical Modeling of Enzymatic Reactions: The Case ofDecarboxylation
J. Chem. Theory Comput. 2011, 7, 1494-1501. [pdf]
16. Rong-Zhen Liao, Polina Georgieva, Jian-Guo Yu, Fahmi Himo
Mechanism of Mycolic Acid Cyclopropane Synthase: A Theoretical Study
Biochemistry 2011, 50, 1505-1513. [pdf]
15. Ehsan Jalilian, Rong-Zhen Liao, Fahmi Himo, Hjalmar Brismar, Fredrik Laurell, Sven Lidin
Luminescence Properties of the Cu4I62- Cluster
CrystEngComm 2011, 13, 4729-4734. [pdf]
2010
14. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations
Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527. [pdf]
13. Yue-Jie Ai, Rong-Zhen Liao, Shu-Feng Chen, Yi Luo, Wei-Hai Fang
Theoretical Studies on photoisomerizations of (6-4) and Dewar Photolesions in DNA
J. Phys. Chem. B. 2010, 114, 14096-14102. [pdf]
12. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Phosphate Mono- and Diesterase Activities of the Trinuclear Zinc Enzyme Nuclease P1 – Insights from Quantum Chemical Calculations
Inorg. Chem. 2010, 49, 6883-6888. [pdf]
11. Na Qi, Rong-Zhen Liao, Jian-Guo Yu, Ruo-Zhuang Liu
DFT study of the Asymmetric Nitroaldol (Henry) Reaction Catalyzed by a Dinuclear Zn Complex
J. Comput. Chem. 2010, 31, 1376-1384. [pdf]
10. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Reaction Mechanism of the Trinuclear Zinc Enzyme Phospholipase C: A Density Functional Theory Study
J. Phys. Chem. B 2010, 114, 2533-2540. [pdf]
9. Rong-Zhen Liao, Fahmi Himo, Jian-Guo Yu, Ruo-Zhuang Liu
Dipeptide Hydrolysis by the Dinuclear Zinc Enzyme Human Renal Dipeptidase: Mechanistic Insights from DFT Calculations
J. Inorg. Biochem. 2010, 104, 37-46. [pdf]
8. Xi-Chen Li, Rong-Zhen Liao, Wen-Chang Zhou, Guang-Ju Chen
DFT Studies of the Degradation Mechanism of the Methyl-Mercury Activated by a Sulfur-rich Ligand
Phys. Chem. Chem. Phys. 2010, 12, 3961-3971. [pdf]
2009
7. Rong-Zhen Liao, Fahmi Himo, Jian-Guo Yu, Ruo-Zhuang Liu
Theoretical Study of the RNA Hydrolysis Mechanism of the Dinuclear Zinc Enzyme RNase Z
Eur. J. Inorg. Chem. 2009, 2967-2972. [pdf]
6. Ling Yang, Rong-Zhen Liao, Jian-Guo Yu, Ruo-Zhuang Liu
DFT Study on the Mechanism of Escherichia coliInorganic Pyrophosphatase
J. Phys. Chem. B 2009, 113, 6505-6510. [pdf]
5. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo
Reaction Mechanism of the Dinuclear Zinc Enzyme N-Acyl-L-homoserine Lactone Hydrolase: A Quantum Chemical Study
Inorg. Chem. 2009, 48, 1442-1448. [pdf]
2008
4. Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Wei-Hai Fang, Ruo-Zhuang Liu
Theoretical Studies on Pyridoxal 5'-Phosphate-Dependent Transamination of α-Amino Acids
J. Comput. Chem. 2008, 29, 1919-1929. [pdf]
3. Rong-Zhen Liao, Jian-Guo Yu, Frank M Raushel, Fahmi Himo
Theoretical Investigation of the Reaction Mechanism of the Dinuclear Zinc Enzyme Dihydroorotase
Chem. Eur. J. 2008, 14, 4287-4292. [pdf]
2007
2. Jia-Qi Li, Rong-Zhen Liao, Wan-Jian Ding, Ying Cheng
Highly Efficient and Site-Selective [3+2] Cycloaddition of Carbene-Derived Ambident Dipoles with Ketenes for a Straightforward Synthesis of Spiro-pyrrolidones
J. Org. Chem. 2007, 72, 6266-6269. [pdf]
1. Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, Wei-Hai Fang, Ruo-Zhuang Liu
Water-Assisted Transamination of Glycine and Formaldehyde
J. Phys. Chem. A 2007, 111, 3184-3190. [pdf]