56. Cheng Yang, Christopher J. Huck, Yaroslav D. Boyko, Shang Ning, Uroš Vezonik, Alexander S. Shved, Scott E. Denmark, Binh Khanh Mai*, and David Sarlah*

Stereodivergent Synthesis of Perhydrobenz[e]indene Terpenoids

J. Am. Chem. Soc., 2025. [LINK]

55. Feng Zhong, Renhe Li, Binh Khanh Mai, Peng Liu*, and Gregory C. Fu*

Photoinduced Copper-Catalysed Deracemization of Alkyl Halides

Nature, 2025, 640, 107-113. [LINK] [SharedIt link]

54. Turki M. Alturaifi, Kristin Shimabukuro, Jack C. Sharland, Binh Khanh Mai, Evan A. Weingarten, Mithun C. Madhusudhanan, Djamaladdin G. Musaev*, Peng Liu*, and Huw M. L. Davies*

Hexafluoroisopropanol Solvent Effects on Enantioselectivity of Dirhodium Tetracarboxylate-Catalyzed Cyclopropanation

J. Am. Chem. Soc., 2025, 147, 14694-14704. [LINK]

53. Tyler D. Casselman, Mithun Madhusudhanan, Binh Khanh Mai, Peng Liu*,  and  Brian M. Stoltz*

Potassium tert-Butoxide Mediated Stereoselective/Direct Mannich Reaction of α-Substituted-γ-Lactams with in situ Generated Aryl N-Silyl Imines

Chem. Sci., 2025, 16, 9863-9871. [LINK]

52. Nhan Nu Hong Ton, Binh Khanh Mai, Thomas Fallon, Thanh Vinh Nguyen*

Rapid Access to Conjugated Z,Z,Z-Trienes

Angew. Chem. Int. Ed., 2025, 64, e202502713. [LINK]

51. Hui Pan, Qing An, Binh Khanh Mai, Yuegang Chen, Peng Liu*, and Zhiwei Zuo*

Iron-Catalyzed Aerobic Carbonylation of Methane via Ligand-to-Metal Charge Transfer Excitation

J. Am. Chem. Soc., 2025, 147, 1440-1447. [LINK]

50. Qinghe Liu§, Can Qin§, Jing Wan§, Binh Khanh Mai§, Xin Zhi Sui, Haruki Kobayashi, Hossein Zahedian, Peng Liu*, and Amir H. Hoveyda*

Synthesis of Z-gem-Cl,CF3-Substituted Alkenes by Stereoselective Cross-Metathesis and the Role of Disubstituted Mo Alkylidenes

J. Am. Chem. Soc., 2024, 146, 22485-22497. [LINK]

(§ - equal contribution)

49. Shawn Ng, Casey Howshall, Thanh Nhat Ho, Binh Khanh Mai, Yuebiao Zhou, Can Qin, Kai Ze Tee, Peng Liu*, Filippo Romiti*, and Amir H. Hoveyda*

Catalytic Prenyl Conjugate Additions for Synthesis of Enantiomerically Enriched PPAPs

Science, 2024, 386, 167-175. [LINK]

48. Tuan Hoang Ho, Binh Khanh Mai, Tuong Anh To, and Thanh Vinh Nguyen*

A 1,2-Aryl Migration Reaction in Visible-Light-Mediated Synthesis of Quinoxaline Derivatives: Mechanistic Studies

Org. Lett., 2024, 41, 8842-8847. [LINK]

47. Banruo Huang, Binh Khanh Mai, Ulrike Warzok, Peng Liu*, and F. Dean Toste*

On the Gold(I)-Catalyzed Enantioselective Addition of Indole to Diphenylallene via Anion-Binding Catalysis

Tetrahedron Lett., 2024, 149, 155247. [LINK

46. Subhash Garhwal, Yuyang Dong, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*

CuH-Catalyzed Regio- and Enantioselective Formal Hydroformylation of Vinyl Arenes

J. Am. Chem. Soc., 2024, 146, 13733-13740. [LINK]

45. Tuong Anh To, Nhu Thi Ai Phan, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Controlling Regioselectivity of the Bromolactonization Reaction in HFIP

Chem. Sci., 2024, 15, 7187-7197. [LINK]

44. Youming Huang, Xinghan Li, Binh Khanh Mai, Emily J. Tonogai, Amanda J. Smith, Paul J. Hergenrother, Peng Liu*, and Amir H. Hoveyda*

A Catalytic Process Enables Efficient and Programmable Access to Precisely Altered Indole Alkaloid Scaffolds

Nat. Chem., 2024, 16, 1003-1014. [LINK] [SharedIt link]

43. Son H. Doan, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Moisture-Assisted Hydroboration of Nitriles and Conversion Thereof to N-Heterocyles and N-Containing Derivatives

Org. Lett., 2023, 25, 8981-8986. [LINK]

42. Dennis A. Kutateladze, Binh Khanh Mai, Yuyang Dong, Yu Zhang, Peng Liu*, and Stephen L. Buchwald*

Stereoselective Synthesis of Trisubstituted Alkenes via Copper Hydride-Catalyzed Alkyne Hydroalkylation

J. Am. Chem. Soc., 2023, 145, 17557-17563. [LINK]

41. Son H. Doan, Binh Khanh Mai*, and Thanh Vinh Nguyen*

A Universal Organocatalyst for Selective Mono-, Di-, and Triboration of Terminal Alkynes

ACS Catal., 2023, 13, 8099-8105. [LINK]

40. Seifallah Abid, Kevin P. Quirion, Yi Yang, Renhe Tang, Binh Khanh Mai, Peng Liu*, and Anis Tlili*

Photochemically Driven Nickel-Catalyzed Carboxylative C–N Coupling: Scope and Mechanism

Chem. Eur. J., 2023, e202301271. [LINK]

39. Jasnoor S. Mann, Binh Khanh Mai, and Thanh Vinh Nguyen*

Carbocation-Catalyzed Intramolecular and Intermolecular Carbonyl-Alkyne Metathesis Reactions

ACS Catal., 2023, 13, 2696-2701. [LINK]

38. Tobias Koengeter, Can Qin, Binh Khanh Mai, Qinghe Liu, Yucheng Mu, Peng Liu*, and Amir H. Hoveyda*

Catalytic Cross-Metathesis Reactions That Afford E- and Z-Trisubstituted Alkenyl Bromides: Scope, Applications, and Mechanistic Insights

J. Am. Chem. Soc., 2023, 145, 3774-3785. [LINK]

37. Changmin Xie, Jacob Kim, Binh Khanh Mai, Shixuan Cao, Rong Ye, Xin-Yi Wang, Peng Liu*, and Ohyun Kwon*

Enantioselective Synthesis of Quaternary Oxindoles: Desymmetrizing Staudinger–Aza-Wittig Reaction Enabled by a Bespoke HypPhos Oxide Catalyst

J. Am. Chem. Soc., 2022, 144, 21318-21327. [LINK]

36. Amit Kumar Simlandy, Warabhorn Rodphon, Turki M. Alturaifi, Binh Khanh Mai, Hui-Qi Ni, John A. Gurak, Jr., Peng Liu*, and Keary M. Engle*

Catalytic Addition of Nitroalkanes to Unactivated Alkenes via Directed Carbopalladation

ACS. Catal., 2022, 12, 13755-13762. [LINK]

• Highlighted in ChemistryViews.

35. Shibo Xu, Juan del Pozo, Filippo Romiti, Yue Fu, Binh Khanh Mai, Ryan J. Morrison, KyungA Lee, Shaowei Hu, Ming Joo Koh, Jaehee Lee, Xinghan Li, Peng Liu*, and Amir H. Hoveyda*

Diastereo- and Enantioselective Synthesis of Compounds with a Trifluoromethyl- and Fluorosubstituted Carbon Center and Their Unusual Chemistry

Nat. Chem., 2022, 14, 1459-1469. [LINK]

34. Minh Tuan Ha, Nina Thi Nguyen, Ngoc Huyen Tran, Quoc Viet Ho, Nguyen Thi Son, Van Ha Nguyen, Hien Nguyen, Dang Van Do, Tran Quang Hung*, Binh Khanh Mai*, and Tuan Thanh Dang*

Cu-catalyzed Synthesis of Quinolines by Dehydrogenative Reaction of 2-Aminobenzyl Alcohol and Ketones: A Combined Experimental and Computational Study

Chem. Asian J., 2022, 17, e202200909. [LINK]

33. Tuong Anh To, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Towards Homogeneous Brønsted Acid-Catalyzed Intramolecular Carbonyl-Olefin Metathesis Reactions

Org. Lett., 2022, 24, 7237-7241. [LINK]

32. Son H. Doan, Nhan N. H. Ton, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Organosuperbase Catalyzed 1, 1-Diboration of Alkynes

ACS Catal., 2022, 12, 12409-12418. [LINK]

31. Yuyang Dong, Kwangmin Shin, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*

Copper Hydride-Catalyzed Enantioselective Olefin Hydromethylation

J. Am. Chem. Soc., 2022, 144, 16303-16309. [LINK]

30. Demelza J. M. Lyons, An H. Dinh, Nhan N. H. Ton, Reece D. Crocker, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Ring Contraction of Tropylium Ions into Benzenoid Derivatives

Org. Lett., 2022, 24, 2520-2525. [LINK]

29. Yuyang Dong, Alexander W. Schuppe, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*

Confronting the Challenging Asymmetric Carbonyl 1,2-Addition using Vinyl Heteroarene Pronucleophiles: Ligand-Controlled Regiodivergent Processes Through a Dearomatized Allyl-Cu Species

J. Am. Chem. Soc., 2022, 144, 5985-5995. [LINK]

28. Woo-Ok Jung, Binh Khanh Mai, Minjin Yoo, Samuel W. J. Shields, Jason R. Zbieg*, Craig E. Stivala*, Peng Liu*, and Michael J. Krische*

Kinetic, ESI-CID-MS and Computational Studies of π-Allyliridium C,O-Benzoate-Catalyzed Allylic Amination: Understanding the Effect of Cesium Ion

ACS Catal., 2022, 12, 3660-3668. [LINK]

27. Thomas J. O’Connor, Binh Khanh Mai, Jordan Nafie, Peng Liu*, and F. Dean Toste*

Generation of Axially Chiral Fluoroallenes through a Copper-Catalyzed Enantioselective β-Fluoride Elimination

J. Am. Chem. Soc., 2021, 143, 13759-13768.  [LINK]

26. Woo-Ok Jung, Binh Khanh Mai, Brian J. Spinello, Zachary J. Dubey, Seung Wook Kim, Craig E. Stivala*, Jason R. Zbieg*, Peng Liu*, and Michael J. Krische*

Enantioselective Iridium-Catalyzed Allylation of Nitroalkanes: Entry to β-Stereogenic α-Quaternary Primary Amines

J. Am. Chem. Soc., 2021, 143, 9343-9349. [LINK]

25. Nhan N. H. Ton, Binh Khanh Mai*, and Thanh Vinh Nguyen*

Tropylium-Promoted Hydroboration Reactions: Mechanistic Insights via Experimental and Computational Studies

J. Org. Chem., 2021, 86, 9117-9133. [LINK]

24. Demelza J. M. Lyons, Claire Empel, Domenic P. Pace, An H. Dinh, Binh Khanh Mai*, Rene M. Koenigs*, and Thanh Vinh Nguyen*

Tropolonate Salts as Acyl Transfer Catalysts under Thermal and Photochemical Conditions: Reaction Scope and Mechanistic Insights

ACS Catal., 2020, 10, 12596-12606. [LINK]

23. Xin Wang§, Zi-Qi Li§, Binh Khanh Mai§, John A. Gurak, Jr., Jessica E. Xu, Van T. Tran, Zhen Liu, Zhonglin Liu, Kin S. Yang, Rong Xiang, Peng Liu*, and Keary M. Engle*

Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity

Chem. Sci., 2020, 11, 11307-11314. [LINK]

(§ - equal contribution)

22. Man Li, Amparo Sanz-Marco, Samuel Martinez-Erro, Victor García-Váquez, Binh Khanh Mai, Jacob Fernández-Gallardo, Fahmi Himo*, and Belén Martín-Matute*

Unraveling the Mechanism of the Ir(III)-Catalyzed Regiospecific Synthesis of α-Chlorocarbonyl Compounds from Allylic Alcohols

Chem. Eur. J., 2020, 26, 14978-14986. [LINK]

21. Binh Khanh Mai and Fahmi Himo*

Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations

Top. Organomet. Chem. 2020, 67, 39-56. [LINK]

(in New Directions in the Modeling of Organometallic Reactions) 

20. Takahiro Hirai, Daiki Kato, Binh Khanh Mai, Shoichiro Katayama, Shoko Akiyama, Haruki Nagae, Fahmi Himo*, Kazushi Mashima*

Esterification of Tertiary Amides: Remarkable Additive Effects of Potassium Alkoxides for Generating Hetero Manganese‐Potassium Dinuclear Active Species

Chem. Eur. J., 2020, 26, 10735-10742. (Hot Paper) [LINK] [Front Cover] [Cover Profile]

19. Can Zhu, Jie Liu, Binh Khanh Mai, Fahmi Himo*, and Jan-E. Bäckvall*

Efficient Stereoselective Carbocyclization to cis-1,4-Disubstituted Heterocycles Enabled by Dual Pd/Electron Transfer Mediator (ETM) Catalysis

J. Am. Chem. Soc., 2020, 142, 5751-5759. [LINK]

18. Seung Wook Kim, Cole C. Meyer, Binh Khanh Mai, Peng Liu*, and Michael J. Krische*

Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study

ACS Catal., 2019, 9, 9158-9163. [LINK]

17. Arnar Guðmundsson, Karl P. J. Gustafson, Binh Khanh Mai, Viola Hobiger, Fahmi Himo*, and Jan-E. Bäckvall*

Diastereoselective Synthesis of N-Protected 2,3-Dihydropyrroles via Iron-Catalyzed Cycloisomerization of α-Allenic Sulfonamides

ACS Catal., 2019, 9, 1733-1737. [LINK]

16. Binh Khanh Mai, Kálmán J. Szabó*, and Fahmi Himo*

Mechanisms of Rh-Catalyzed Oxyamino-fluorination and Oxyamino-trifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents

Org. Lett., 2018, 20, 6646-6649. [LINK]

15. Can Zhu, Bin Yang, Binh Khanh Mai, Sara Palazzotto, Youai Qiu, Arnar Guðmundsson, Alexander Ricke, Fahmi Himo*, and Jan-E. Bäckvall*

Highly Selective Palladium-Catalyzed Hydroborylative Carbocyclization of Bisallenes to Seven-Membered Rings

J. Am. Chem. Soc., 2018, 140, 14324-14333. [LINK]

14. Binh Khanh Mai, Kálmán J. Szabó*, and Fahmi Himo*

Mechanisms of Rh-Catalyzed Oxyfluorination and Oxytrifluoromethylation of Diazocarbonyl Compounds with Hypervalent Fluoroiodine

ACS Catal., 2018, 8, 4483-4492. [LINK]

13. Arnar Guðmundsson, Karl P. J. Gustafson, Binh Khanh Mai, Bin Yang*, Fahmi Himo*, and Jan-E. Bäckvall*

Efficient Formation of 2,3-Dihydrofurans via Iron-Catalyzed Cycloisomerization of α-Allenols

ACS Catal., 2018, 8, 12-16. [LINK]

12. Yongho Kim*, Binh Khanh Mai, and Sumin Park

VTST/MT Studies of the Catalytic Mechanism of C–H Activation by Transition Metal Complexes with [Cu2(μ-O2)], [Fe2(μ-O2)] and Fe(IV)–O Cores based on DFT Potential Energy Surfaces

J. Biol. Inorg. Chem., 2017, 22, 321-338. [LINK]

11. Binh Khanh Mai and Yongho Kim*

Kinetic Isotope Effects as a Probe for the Protonolysis Mechanism of Alkylmetal Complexes: VTST/MT Calculations Based on DFT Potential Energy Surfaces

Inorg. Chem., 2016, 55, 9822-9829. [LINK]

10. Binh Khanh Mai and Yongho Kim*

Is It Fe(III)-Oxyl Radical that Abstracts Hydrogen in the C-H Activation of TauD? A Theoretical Study Based on the DFT Potential Energy Surfaces

Inorg. Chem., 2016, 55, 3844-3852. [LINK]

9. Yoon Hye Kwon§, Binh Khanh Mai§, Yong-Min Lee, Sunder N. Dhuri, Debasish Mandal, Kyung-Bin Cho*, Yongho Kim*, Sason Shaik*, and Wonwoo Nam*

Determination of Spin Inversion Probability, H-Tunneling Correction and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)–Oxo Complexes

J. Phys. Chem. Lett., 2015, 6, 1472-1476. [LINK]

(§ - equal contribution)

8. Binh Khanh Mai and Yongho Kim*

The Kinetic Isotope Effect as a Probe of Spin Crossover in the C–H Activation of Methane by the FeO+ Cation

Angew. Chem. Int. Ed., 2015, 54, 3946-3951. [LINK]

7. Binh Khanh Mai and Yongho Kim*

Long-range Proton Relay Shows an Inverse Linear Free Energy Relationship Depending on the pKa of the Hydrogen-bonded Wire

RSC Adv., 2015, 5, 2669-2676. [LINK]

6. Hua Fang, Binh Khanh Mai, and Yongho Kim*

Excited-State Multiple Proton Transfer Depending on the Acidity and Basicity of Mediating Alcohols in 7-Azaindole–(ROH)2 (R=H, CH3) Complexes: A Theoretical Study

Photochem. Photobiol., 2015, 91, 306-314. [LINK]

5. Binh Khanh Mai and Yongho Kim*

Substrate Dependent H/D Kinetic Isotope Effects and the Role of Di(μ-oxo)diiron(IV) Core in Soluble Methane Monooxygenase: A Theoretical Study

Chem. Eur. J., 2014, 20, 6532-6541. [LINK]

4. Binh Khanh Mai and Yongho Kim*

Theoretical Studies for Large Tunneling and the Hydrogen-Transfer Mechanism in the C–H Activation of CH3CN by a Di(μ-oxo)diiron(IV) Complex: A Model for Intermediate Q in Soluble Methane Monooxygenase

Chem. Eur. J., 2013, 19, 3568-3572. [LINK]

3. Binh Khanh Mai, Kisoo Park, My Phu Thi Duong, and Yongho Kim*

Proton Transfer Dependence on Hydrogen-Bonding of Solvent to the Water Wire: A Theoretical Study

J. Phys. Chem. B, 2013, 117, 307-315. [LINK]

2. Lawrence M. Pratt, Binh Khanh Mai, and B. Ramu Ramachandran*

Carbenoid Alkene Insertion Reactions of Oxiranyllithiums

J. Org. Chem., 2012, 77, 8605-8614. [LINK]

1. Lawrence M. Pratt*, Stewart Voit, Binh Khanh Mai, and BichLien H. Nguyen

Lithium Cuprate Coupling Reactions: Evaluation of Computational Methods for Determination of the Reaction Mechanisms

J. Phys. Chem. A, 2010, 114, 5005-5015. [LINK]