• Journal Papers

Lung Wa Chung (O6S4C4Ar)
ResearcherID: B-6263-2011

OCRID: 0000-0001-9460-7812

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Publications (incl. 1 Chem. Rev., 2 Acc. Chem. Rev., 21 J. Am. Chem. Soc., 5 Angew. Chem. Int. Ed., 1 Wiley interdisciplinary Rev., 4 Nat. Commun., 5 ACS Catal., 6 Chem. Sci. and 5 JCTC):

Total ISI Citations: >4100 (>3900 excl. self-citations); H-index: 36     

* corresponding author(s); # co-first authors

86. Zheng, F.;# Yang, Y.;# Wu, S.; Zhao, S.; Zhu, Y.; Su, H.; Dai, J.-F.; Yan, Z.; Chung, L. W.* Wong, K. M.-C.* “Structure-property relationships of photofunctional diiridium(II) complexes with tetracationic charge and an unsupported Ir–Ir bond” Commun. Chem. 2022, 5, 159.

85. Qin, C.;# Huang, Z.;# Wu, S.-B.;# Li, Z.; Yang, Y.; Xu, S.; Zhang, X.; Liu, G.; Wu, Y.-.D.; Chung, L. W.;* Huang, Z.* “Breaking Conventional Site Selectivity in C−H Bond Activation: Selective sp3 versus sp2 Silylation by a Pincer-Based Pocket” J. Am. Chem. Soc. 2022, 144, 20903.

84. Lan, J.; Zhang, T.; Yang, Y.; Li, X.;* Chung, L. W.* “A Mechanistic Study of the Cobalt(I)-Catalyzed Amination of Aryl 2 Halides: Effects of Metal and Ligand” Inorg. Chem. 202261, 18019.

83. Wang, T.-Y.;# Chen, X.-X.;# Zhu, D.-X. Chung, L. W.; Xu, M.-H.* “Rhodium(I) Carbene-Promoted Enantioselective C-H Functionalization of Simple Unprotected Indoles, Pyrroles and Heteroanalogues: New Mechanistic Insights” Angew. Chem. Int. Ed. 2022, 61, e202207008.

82. Liu, G.;# Zheng, L.;# Tian, K.; Wang, H.; Chung, L. W.; Zhang, X.;* Dong, X.-Q.* “Ir-Catalyzed Asymmetric Hydrogenation of Unprotected Indoles: Scope Investigations and Mechanistic Studies” CCS Chem. 2022, DOI: 10.31635/ccschem.022.202101643.

81. Lan, J.;# Li, X.;# Yang, Y.; Zhang, X.; Chung, L. W.*  “New Insights and Predictions into Complex Homogeneous Reactions Enabled by Computational Chemistry in Synergy with Experiments: Isotopes and Mechanisms” Acc. Chem. Res. 202255, 1109.

80. Wang, Q.;# Lan, J.;# Liang, R.; Xia, Y.; Qin, L.;* Chung, L. W.* Zheng, Z.* “New Tricks for an Old Dog: Grubbs Catalysts Enable Efficient Hydrogen Production from Aqueous-Phase Methanol Reforming” ACS Catal. 202212, 2212.

79. Yan, Z.; Li, X.; Chung, L. W.* “Multiscale Quantum Refinement Methods for Metalloproteins” J. Chem. Theory Comput. 2021, 17,  3783.

78. Fan, X.; Zheng, L.; Yang, Y.; Dong, X.-Q.;* Zhang, X.; Chung, L. W.* “A Computational Study of Asymmetric Hydrogenation of 2-Phenyl Acrylic Acids Catalyzed by a Rh(I) Catalyst with Ferrocenyl Chiral Bisphosphorus Ligand: The Role of Ion-pair Interaction” Chin. J. Chem. 202139,  1616 (An invited contribution to Department of Chemistry, SUSTech, on the Occasion of Her 10th Anniversary).

77. Du, X.#; Xiao, Y.#; Yang, Y.#; Duan, Y.-N.; Li, F.; Hu, Q.; Chung, L. W.*; Chen, G.-Q.;* Zhang, X.* “Enantioselective Hydrogenation of tetra-Substituted α,β-Unsaturated Carboxylic Acids Enabled by Cobalt(II) Catalysis: Scope and Mechanistic Insights” Angew. Chem. Int. Ed. 2021, 60, 11384.

76. Chang, X.#; Yang, Y.#; Shen, C.; Xue, K.-S.; Wang, Z.-F.; Tao, H.-Y.; Chung, L. W.;* Wang, C.-J.* “beta-Substituted Alkenyl Heteroarenes as Dipolarophiles in Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides Empowered by Dual Activation Strategy: Stereoselectivity and Mechanistic Insight” J. Am. Chem. Soc. 2021,  143, 3519.

75. Zhu, D.-X.#; Xia, H.#; Liu, J.-G.; Chung, L. W.*; Xu, M.-H.* “Regiospecific and Enantioselective Arylvinylcarbene Insertion of a C-H bond of Aniline Derivatives Enabled by a Rh(I)-Diene Catalyst” J. Am. Chem. Soc. 2021143, 2608.

74. Fan, J.-H. Wang, J.-J.; Li, F.; Wang, G.; Guo, Q.; Chung, L. W.; Li, C.-C.* “Asymmetric Total Synthesis of Phomarol” CCS Chem. 20213, 348.

73. Chen, J.-P.; Li, Y.; Liu, C.; Chung, L. W.; Xu, M.-H.* "Water as a Direct Proton Source for Asymmetric Hydroarylation Catalyzed by a Rh(I)-Diene: Access to Nonproteinogenic β2/γ2/δ2-Amino Acid Derivatives” Org. Lett. 202123, 571.

72. Li, F.; Chung, L. W.* “AgN3-Catalyzed Hydroazidation of Terminal Alkynes and Mechanistic Studies” Chin. J. Org. Chem. (Highlight) 202040, 2603.

71. Feng, Q.; Wu, H.; Li, X.; Song, L.; Chung, L. W.* Wu, Y.-D.;* Sun, J.* “Ru-Catalyzed Geminal Hydroboration of Silyl Alkynes via a New gem-Addition Mechanism” J. Am. Chem. Soc. 2020142, 13867.

70. Zhang, X.; Wu, S.-B., Leng, X.; Chung, L. W.; Liu, G.; Huang, Z.* “N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects” ACS Catal. 202010, 6475.

69. Yang, Y.#; Zhang, X.#; Zhong, L.; Lan, J.; Li, X.; Li, C.-C.; Chung, L. W.* “Unusual KIE and Dynamics Effects in the Fe-catalyzed Hetero-Diels-Alder Reaction of Unactivated Aldehydes and Dienes” Nat. Commun. 2020, 11, 1850.

68. Sun, X.-S.#; Ou-Yang, Q.#(Undergraduate); Wang, X.-H.; Shen, C.; Tao, H.-Y.; Chung, L. W.;* Wang, C.-J.* “Asymmetric Synthesis of Quaternary -Trifluoromethyl -Amino Acids by Ir-Catalyzed Allylation followed by Kinetic Resolution” Chem. Commun. 202056, 3333.

67. Song, L.#; Feng, Q.#, Wang, Y.; Ding, S.; Wu, Y.-D.; Zhang, Z.; Chung, L. W.;* Sun, J.* “Ru-Catalyzed Migratory Geminal SemiHydrogenation of Internal Alkynes to Terminal Olefins” J. Am. Chem. Soc. 2019141, 17441.

66. Yang, Y.;* Zhou, Q.; Cai, J.; Xue, T.; Liu, Y.; Jiang, Y.; Su, Y.; Chung, L. W.;* Vicic, D. A.* “Exploiting the Trifluoroethyl Group as a Precatalyst Ligand in Nickel-catalyzed Suzuki-type Alkylations” Chem. Sci. 201910, 5275.

65. Deng, X.#; Shi, L.-Y.#; Lan, J.#; Guan, Y.-Q.; Zhang, X.; Lv, H.; Chung, L. W.;* Zhang, X.* “Enantioselective Rhodium-Catalyzed Cycloisomerization of 1,6-Allenynes to access 5/6-Fused Bicycle[4.3.0]nonadienes: An Experimental and Computational Study” Nat. Commun. 201910, 949.

64. Liu, X.; Liu, J.; Wu, J.; Huang, G.; Liang, R. (Undergraduate); Chung, L. W.; Li, C.-C.* “Asymmetric Total Synthesis of Cerorubenic Acid-III” J. Am. Chem. Soc. 2019141, 2872.

63. Tu, B.; Shao, Y.; Chen, W.; Wu, Y.; Li, X.; He, Y.; Li, J.; Liu, F.; Zhang, Z.; Lin, Y.; Lan, X.; Xu, L.; Shi, X.; Ng, A. M. C.; Li, H.;* Chung, L. W.; Djurisic, A. B; He, Zhubing* “Novel Molecular Doping Mechanism for n-Doping of SnO2 via Triphenylphosphine Oxide and Its Effect on Perovskite Solar Cells” Adv. Mater. 201931, 1805944.

62. Wu, S.-B.#; Zhang, T.#; Chung, L. W.;* Wu, Y.-D. “A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation” Org. Lett. 2019, 21, 360. 

61. Shen, C.#; Yang, Y.#; Wei, L.; Dong, W. W.; Chung, L. W.;* Wang, C. J.* “Kinetic Resolution of Alkylidene Norcamphors via A Ligand-Controlled Umpolung-Type 1,3-Dipolar Cycloaddition” iScience 201911, 146.

60. Zhu, C.; Huang, M.; Lan, J.; Chung, L. W.; Li, X.;* Xie, X.* “Colorimetric Calcium Probe with Comparison to an Ion-Selective Optode” ACS Omega 20183, 12476.

59. You, C.; Li, X.; Yang, Y.; Yang, Y.-S.; Tan, X.; Li, S.; Wei, B.; Lv, H.;* Chung, L. W.;* Zhang, X.* “Silicon-Oriented Regio- and Enantioselective Rhodium-Catalyzed Hydroformylation” Nat. Commun. 20189, 2045.

58. Jin, M. Y.; Li, J.; Huang, R. (Undergraduate); Zhou, Y.; Chung, L. W.; Wang, J.* “Catalytic Asymmetric Trifluoromethylthiolation of Carbonyl Compounds via a Diastereo and Enantioselective Cu-Catalyzed Tandem Reaction” Chem. Commun. 2018544581.

57. You, C.; Li, S.; Li, X.; Lan, J.; Yang, Y.; Chung, L. W.; Lv, H.;* Zhang, X.* “Design and Application of Hybrid Phosphorus Ligands for Enantioselective Rh-Catalyzed Anti-Markovnikov Hydroformylation of Unfunctionalized 1,1-Disubstituted Alkenes” J. Am. Chem. Soc. 2018140, 4977.

56. Wen, J.;* Fan, X.; Tan, R.; Chien, H.-C.; Zhou, Q.; Chung, L. W.;* Zhang, X.* “Brønsted-acid-promoted Rh-catalyzed asymmetric hydrogenation of N-unprotected indoles: a cocatalysis of transition metal and anion binding” Org. Lett. 201820, 2143.

55. Zhou, Q.; Tang, W.; Chung, L. W.* “Mechanistic insights into asymmetric reductive coupling of isoquinolines by a chiral diboron with DFT calculations” J. Organomet. Chem. 2018864, 97. (An invited contribution in a special issue "Modern Computational Organometallic Chemistry")

54. Zhang, T.#; Zhang, X.#; Chung, L. W.* “Computational Insights into the Reaction Mechanism of Nickel-Catalyzed Hydrofunctionalizations and Nickel-Dependent Enzymes” Asian J. Org. Chem. (Focus Review) 20187, 522. (An invited contribution in a special issue “Early Career Researchers in China”)

53. Li, X.; You, C.; Yang, Y.; Yang, Y.; Li, P.; Gu, G.; Chung, L. W.; Lv, H.;* Zhang, X.* “Rhodium-catalyzed asymmetric hydrogenation of β-cyanocinnamic esters with the assistance of a single hydrogen bond in a precise position” Chem. Sci. 20189, 1919. 

52. Tan, X.; Zeng, W.; Zhang, X.; Chung, L. W.;* Zhang, X.* “Development of a novel secondary phosphine oxide–ruthenium(II) catalyst and its application for carbonyl reduction” Chem. Commun. 201854, 535.

51. Qian, H.; Gu, G.; Zhou, Q.l Lu, J.; Chung, L. W.;* Zhang, X.* “Enantioselective Palladium-Catalyzed Decarboxylative Allylation of β-Keto Esters Assisted by a Thiourea” Synlett 201829, 51. 

50. Li, X.#; Liao, T.#; Chung, L. W.* “Computational Prediction of Excited-State Carbon Tunneling in the Two Steps of Triplet Zimmerman Di-p-Methane Rearrangement” J. Am. Chem. Soc. (Commun.) 2017139, 16438.

49. Chen, D.; Xu, G.; Zhou, Q.; Chung, L. W.; Tang, W.* “Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons” J. Am. Chem. Soc. 2017139, 9767.

48. Gao, W.; Lv, H.;* Zhang, T.; Yang, Y.; Chung, L. W.;* Wu, Y.-D.; Zhang, X.* “Nickel-Catalyzed Asymmetric Hydrogenation of ß-Acylamino Nitroolefins: An Efficient Approach to Chiral Amines” Chem. Sci. 20178, 6419. 

47. Du, K.; Yang, H.; Guo, P.; Feng, L.; Xu, G.; Zhou, Q.; Chung, L. W.; Tang, W.* “Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and the Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization” Chem. Sci. 20178, 6247. 

46. Lan, J.; Liao, T.; Zhang, T.; Chung, L. W.“Reaction Mechanism of Cu(I)-Mediated Reductive CO2 Coupling for the Selective Formation of Oxalate: Cooperative CO2 Reduction to Give Mixed-valence Cu2(CO2•–) and Nucleophilic-like Attack” Inorg. Chem. 201756, 6809.

45. Liu, J.; Nie, M.; Zhou, Q.; Chung, L. W.;* Tang, W.;* Ding, K.* “Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes” Chem. Sci. 20178, 5161.

44. Chen, C.; Zhang, Z.; Jin, S.; Fan, X.; Geng, M.; Zhou, Y.; Wen, S.; Wang, X.; Chung, L. W.;* Dong, X.-Q.;* Zhang, X.* “Enzyme-inspired chiral secondary-phosphine-oxide ligand with dual noncovalent interactions for asymmetric hydrogenation” Angew. Chem. Int. Ed. 201756, 6808. 

43. Zheng, S.-C.; Wu, S.; Zhou, Q.; Chung, L. W.; Ye, L.; Tan, B.* “Organocatalytic Atroposelective Synthesis of Axially Chiral Styrenes” Nat. Commun. 20178, 15238. 

42. Yu, J.; Long, J.; Yang, Y.; Wu, W.; Xue, P.; Chung, L. W.;* Dong, X.-Q.;* Zhang, X.* “Iridium-Catalyzed Asymmetric Hydrogenation of Ketones with Accessible and Modular Ferrocene-based Amino-phosphine acid (f-Ampha) Ligands” Org. Lett. 2017, 19, 690. 

41. Song, L.-J.; Wang, T.; Zhang, X.;* Chung, L. W.;* Wu, Y.-D.* “A Combined DFT/IM-MS Study on the Reaction Mechanism of Cationic Ru(II)-Catalyzed Hydroboration of Alkynes” ACS Catal. 20177, 1361 (selected as “ACS Editors' Choice “). 

40. Yang, L-P.; Jia, F.; Zhou, Q.-H.; Pan, F.; Sun, Q.-H.; Rissanen, K.; Chung, L. W.;* Jiang, W.* “Guest-Induced Folding and Self-Assembly of Conformationally Adaptive Macrocycles into Nanosheets and Nanotubes” Chem. Eur. J. 201723, 1516.

39. Zhang, X.; Chung, L. W.“Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor” Chem. Eur. J. 201723, 3623. (selected as “Inside Cover“

38. Li, X.;* Chung, L. W.;* Li, G. H.* “Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach" J. Chem. Theory Comput. 201612, 5453. 

37. Nakano, R.; Chung, L. W.; Watanabe, Y.; Okuno, Y.; Okumura, Y.; Ito, S.; Morokuma, K.;* Nozaki, K.* “Elucidating the Key Role of Phosphine-Sulfonate Ligands in Palladium-Catalyzed Ethylene Polymerization: Effect of Ligand Structure on the Molecular Weight and Linearity of Polyethylene" ACS Catal. 20166, 6101.

36. Chen, C.; Wang, H.; Zhang, Z.; Jin, S.; Wen, S.; Ji, J.; Chung, L. W. Dong, X.-Q.;* Zhang, X.* “Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction" Chem. Sci. 20167, 6669.

35. Zhang, X.;* Chung, L. W.;* Wu, Y.-D.* “New Mechanistic Insights on the Selectivity of Transition-Metal-catalyzed Organic Reactions: the Role of Computational Chemistry" Acc. Chem. Res. 201649, 1302. 

34. Tan, X.; Wang, G.; Zhu, Z.; Ren, C.; Zhou, J.; Lv, H.; Zhang, X.; Chung, L. W.;* Zhang, L.;* Zhang, X.* “Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex" Org. Lett. 201618, 1518.

33. Xu, L.; Chung, L. W.;* Wu, Y.-D. “Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: Roles of the Excess Base" ACS Catal. 20166, 483.

32. Chung, L. W.; Sameera, W. M. C.; Ramozzi, R.; Page, A. J.; Hatanaka, M.; Petrova, G. P.; Harris, T. V.; Li, X.; Ke, Z.; Liu, F.; Li, H.-B.; Ding, L. Morokuma, K.* “The ONIOM Method and its Applications” Chem. Rev. 2015115, 5678. (An invited contribution for a special issue: “Calculations on Large Systems"; "Most Read Articles", May 2015; ISI highly-cited paper).

Comments from the reviewers: “This is a master pièce of a review”; “It is certainly going to be one of the most visible review in the domain of computational chemistry.”; “It's a major achievement to complete such a work.”; “this majestic review”

31. Ding, S.#; Song, L.-J.#; Wang, Y.; Zhang, X.;* Chung, L. W.;* Wu, Y.-D.;* Sun, J.* “Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes Under Mild Conditions” Angew. Chem. Int. Ed. 201554, 5632. 

30. Cheng, G.-J.; Zhang, X.; Chung, L. W.; Xu, L.; Wu, Y.-D.* “Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions" J. Am. Chem. Soc. (Perspective) 2015137, 1706. (ISI highly-cited paper)

29. Yang, Y.; Chung, L. W.;* Zhang, X.; Houk, K. N.;* Wu, Y.-D.* “Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles: A Theoretical Study” J. Org. Chem. 201479, 8856.

28. Mei, G.; Yuan, H.; Gu, Y.; Chen, W.; Chung, L. W.; Li, C.-C.* “Dearomative Indole [5+2] Cycloaddition Reactions: Stereoselective Synthesis of Highly Functionalized Cyclohepta[b]indoles” Angew. Chem. Int. Ed. 201453, 11051.

27. Li, X.;* Chung, L. W.; Morokuma, K.;* Li, G. “Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer” J. Chem. Theory Comput. 201410, 3319.

Before SUSTech

26. Ding, L.; Chung, L. W.; Morokuma, K.* “Excited-State Proton Transfer Controls Irreversibility of Photoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study” J. Chem. Theory Comput. 201410, 668.

25. Ding, S.#; Song, L.-J.#; Chung, L. W.; Zhang, X.; Sun, J.;* Wu, Y.-D.* “Ligand-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal Alkynes: Experimental and Theoretical Studies” J. Am. Chem. Soc. 2013, 135, 13835Highlighted by Nature China 2013, DOI: 10.1038/nchina.2013.93

24. Ding, L.; Chung, L. W.; Morokuma, K.* “Reaction Mechanism of Photoinduced Decarboxylation of the Photoactivatable Green Fluorescent Protein: An ONIOM(QM:MM) Study” J. Phys. Chem. B 2013117, 1075

23. Chung, L. W.; Hirao, H.; Li, X.; Morokuma, K.* “The ONIOM Method: Its Foundation and Applications to Metalloenzymes and Photobiology” Wiley Interdisciplinary Reviews: Comput. Mol. Sci. 20122, 327. 

22. Tanaka, R.; Yamashita, M.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex” Organometallics 2011, 30, 6742. 

21. Chung, L. W.;* Li, X.; Hirao, H.; Morokuma, K.* “Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes” J. Am. Chem. Soc. (Commun.) 2011, 133, 20076. 

20. Li, X.; Chung, L. W.;* Morokuma, K.* “Photodynamics of All-trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution” J. Chem. Theory Comput. (Lett.) 20117, 2694. 

19. Abdel-Azeim, S.; Li, X.; Chung, L. W.; Morokuma, K.* “Zinc–Homocysteine Binding in Cobalamin-Dependent Methionine Synthase and its Role in the Substrate Activation: DFT, ONIOM, and QM/MM Molecular Dynamics Studies” J. Comput. Chem. 201132, 3154. 

18. Nakamura, A.; Munakata, K.; Ito, S.; Kochi, T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design” J. Am. Chem. Soc. 2011, 133, 6761.

17. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Competitive Mechanistic Pathways for Green-to-Red Photoconversion in the Fluorescent Protein Kaede: A Computational Study” J. Phys. Chem. B 2010114, 16666.

16. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “Primary Events of Photodynamics in Reversible Photoswitching Fluorescent Protein Dronpa” J. Phys. Chem. Lett20101, 3328. 

15. Nozaki, K.;* Kusumoto, S.; Noda, S.; Kochi, T.; Chung, L. W.; Morokuma, K.;* “Why Did Incorporation of Acrylonitrile to a Linear Polyethylene Become Possible? Comparison of Phosphine‒Sulfonate Ligand with Diphosphine and Imine‒Phenolate Ligands in the Pd-Catalyzed Ethyelene/Acrylonitrile Copolymerization” J. Am. Chem. Soc. 2010, 132, 16030. [Correction: J. Am. Chem. Soc. 2012, 134, 13912]. (citations: 51)

14. Chung, L. W.#; Li, X.#; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “ONIOM Study on a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan 2,3-Dioxygenase with Dual Oxidants” J. Am. Chem. Soc. 2010132, 11993. Highlighted by Curr. Opin. Chem. Biol. 2012, 16, 60:

13. Li, X.; Chung, L. W.; Mizuno, H.; Miyawaki, A.; Morokuma, K.* “A Theoretical Study on the Nature of On- and Off-States of Reversibly Photoswitching Fluorescent Protein Dronpa: Absorption, Emission, Protonation, and Raman” J. Phys. Chem. B 2010114, 1114.

12. Noda, S.; Nakamura, A.; Kochi, T.; Chung, L. W.; Morokuma, K.;* Nozaki, K.* “Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine−Sulfonate Complexes: Experiment and Theoretical Studies” J. Am. Chem. Soc. 2009131, 14088.

11. Li, X.; Chung, L. W.; Paneth, P.; Morokuma, K.* “DFT and ONIOM(DFT:MM) Studies on Co-C Bond Cleavage and Hydrogen Transfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or Concerted Mechanism?” J. Am. Chem. Soc. 2009131, 5115. 

10. Chung, L. W.; Hayashi, S.; Lundberg, M.; Nakatsu, T.; Kato, H.; Morokuma, K.* “Mechanism of Efficient Firefly Bioluminescence via Adiabatic Transition State and Seam of Sloped Conical Intersection” J. Am. Chem. Soc. (Commun.) 2008130, 12880.

9. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “Density Functional Theory Study on a Missing Piece in Understanding of Heme Chemistry: The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase” J. Am. Chem. Soc. 2008130, 12299. Highlighted by RIKEN Research ( & Highlighted by Curr. Opin. Chem. Biol. 2012, 16, 60:


8. Chung, L. W.; Wiest, O.; Wu, Y.-D.* “A Theoretical Study on the Trans-Addition Intramolecular Hydroacylation of 4-Alkynals Catalyzed by Cationic Rhodium Complexes” J. Org. Chem. 2008, 73, 2649.

7. Zhang, X.-H.; Chung, L. W.; Lin, Z.;* Wu, Y.-D.* “A DFT Study on the Mechanism of Hydrosilylation of Unsaturated Compounds with Neutral Hydrido(hydrosilylene)Tungsten Complex” J. Org. Chem. 2008, 73, 820.

6. Chung, L. W.; Lee, H. G.; Lin, Z.;* Wu, Y.-D.* “Computational Study on the Reaction Mechanism of Hydrosilylation of Carbonyls Catalyzed by High-Valent Rhenium(V)-Di-Oxo Complexes” J. Org. Chem. 2006, 71, 6000.

5. Chung, L. W.; Wu, Y.-D.* “A Theoretical Study on the Intermolecular Hydroacylation of Alkyne Catalyzed by Cationic Rhodium Complex” J. Theor. Comput. Chem. 20054 (Special Issue), 737.

4. Chung, L. W.; Chan, T. H.; Wu, Y.-D.* “Theoretical Study of the Intrinsic Reactivities of Various Allylmetals toward Carbonyls and Water” Organometallics 200524, 1598.

3. Miao, W.; Chung. L. W.; Wu, Y.-D; Chan, T. H.* “Experimental and Theoretical Studies of the Propargl-Allenylindium System” J. Am. Chem. Soc. 2004126, 13326. 

2. Chung, L. W.; Wu, Y.-D.;* Trost, B. M.;* Ball, Z. T. “A Theoretical Study on the Mechanism, Regiochemistry, and Stereochemistry of Hydrosilylation Catalyzed by Cationic Ruthenium Complexes” J. Am. Chem. Soc. 2003125, 11578. 

1. Zhang, J. H.; Liao, J.; Cui, X.; Yu, K. B.; Zhu, J.; Deng, J. G.;* Zhu, S. F.; Wang, L. X.; Zhou, Q. L.;* Chung, L. W.; Ye, T.* “Highly Efficient and Practical Resolution of 1,1'-Spirobiindane-7,7'-Diol by Inclusion Crystallization with N-Benzylcinchonidinium Chloride” Tetrahedron: Asymmetry 200213, 1363. 


Book Chapter:

3. Li, X.; Chung, L. W.; Morokuma, K. “Modeling Photobiology Using Quantum Mechanics (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Computational Methods for Large systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ” Reimers, J. R. Eds. John Wiley & Sons, Inc., Hoboken, 2011, pp397-433.

2. Chung, L. W.; Li, X.; Morokuma, K. “Modeling Enzymatic Reactions in Metalloenzymes and Photobiology by Quantum Calculations (QM) and Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations,” In “Quantum Biochemistry” Matta, C. Eds. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp85-130.

1. Wu, Y.-D.; Chung, L. W.; Zhang, X.-H. “Hydrosilylation Reactions Discovered in the Last Decade: Combined Experimental and Computational Studies on the New Mechanisms,” In: “Computational Modeling for Homogeneous and 

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