Reactivity and Selectivity Rules in Organic and Organometallic Reactions

Image adapted from Acc. Chem. Res 2008. Vol. 41. Iss 11

We are developing computational models to quantitatively describe the origins of reactivity and selectivity in organocatalytic and transition metal-catalyzed reactions. We perform quantum mechanical calculations to explore the reaction mechanism, followed by thorough analysis on various stereoelectronic effects to predict how changes of the catalyst structure, substituents, and solvent affect rate and selectivity. We use quantitative energy decomposition methods to dissect the key interactions in the transition state and provide chemically meaningful interpretation to the computed reactivity and selectivity.

We apply these computational studies to a broad range of organic and organometallic reactions, such as C–H and C–C bond activations, olefin hydrofunctionalization, olefin metathesis, and polymerization reactions.

230. Resonance-Assisted Self-Doping in Robust Open-Shell Ladder-Type Oligoaniline Analogues

Mingwan Leng, Turki M. Alturaifi, Josiah Pearce, Hengyu Lin, Guanghua Yu, Mohammed Al-Hashimi, Hong-Cai Zhou, Peng Liu, Lei Fang

Angewandte Chemie International Edition, n/a, pp. e202409149

235. Hemilabile and Redox-Active Quinone Ligands Unlock sp3-Rich Couplings in Nickel-Catalyzed Olefin Carbosulfenylation

Zi-Qi Li, Turki M. Alturaifi, Yilin Cao, Matthew V. Joannou, Peng Liu, Keary Mark Engle

Angewandte Chemie International Edition, n/a, pp. e202411870

215. Intramolecular Carboxyamidation of Alkyne-Tethered O-Acylhydroxamates through Formation of Fe(III)-Nitrenoids

Siyuan Su, Yu Zhang, Peng Liu, Donald J. Wink, Daesung Lee

Chemistry – A European Journal, vol. 30, 2024, pp. e202303428

217. Enantioselective and Regiodivergent Synthesis of Propargyl- and Allenylsilanes through Catalytic Propargylic C−H Deprotonation

Jin Zhu, Hengye Xiang, Hai Chang, James C. Corcoran, Ruiqi Ding, Yue Xia, Peng Liu, Yi-Ming Wang

Angewandte Chemie International Edition, vol. 63, 2024, pp. e202318040

219. Implementing a Doping Approach for Poly(methyl methacrylate) Recycling in a Circular Economy

Mason T. Chin, Tiangang Yang, Kevin P. Quirion, Christina Lian, Peng Liu, Jie He, Tianning Diao

Journal of the American Chemical Society, vol. 146, 2024, pp. 5786-5792

220. Leveraging the Stereochemical Complexity of Octahedral Diastereomeric-at-Metal Catalysts to Unlock Regio-, Diastereo-, and Enantioselectivity in Alcohol-Mediated C–C Couplings via Hydrogen Transfer

Jonathan Z. Shezaf, Catherine G. Santana, Eliezer Ortiz, Cole C. Meyer, Peng Liu, Ken Sakata, Kuo-Wei Huang, Michael J. Krische

Journal of the American Chemical Society, vol. 146, 2024, pp. 7905-7914

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

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

Journal of the American Chemical Society, vol. 146, 2024, pp. 13733-13740

226. Copper-Catalyzed Dearomative 1,2-Hydroamination

Christopher W. Davis, Yu Zhang, Yanrong Li, Matteo Martinelli, Jingyang Zhang, Chad Ungarean, Petra Galer, Peng Liu, David Sarlah

Angewandte Chemie International Edition, vol. 63, 2024, pp. e202407281

227. Copper-Catalyzed Dearomative trans-1,2-Carboamination

Christopher W. Davis, Yanrong Li, Yu Zhang, Zohaib Siddiqi, Peng Liu, David Sarlah

ACS Catalysis, vol. 14, 2024, pp. 10132-10137

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

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

Journal of the American Chemical Society, vol. 146, 2024, pp. 22485-22497

232. On the gold(I)-catalyzed enantioselective addition of indole to diphenylallene via anion-binding catalysis

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

Tetrahedron Letters, vol. 149, 2024, p. 155247

233. Anti-selective Cyclopropanation of Nonconjugated Alkenes with Diverse Pronucleophiles via Directed Nucleopalladation

Hui-Qi Ni, Turki M. Alturaifi, Warabhorn Rodphon, Nicholas F. Scherschel, Shouliang Yang, Fen Wang, Indrawan J. McAlpine, Davin G. Piercey, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 146, 2024, pp. 24503-24514

236. Catalytic prenyl conjugate additions for synthesis of enantiomerically enriched PPAPs

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

Science, vol. 386, 2024, pp. 167-175

234. A metalloenzyme platform for catalytic asymmetric radical dearomatization

Wenzhen Fu, Yue Fu, Yunlong Zhao, Huanan Wang, Peng Liu, Yang Yang

Nature Chemistry, 2024 Aug 28

231. Ni-catalysed dicarbofunctionalization for the synthesis of sequence-encoded cyclooctene monomers

Van T. Tran, Anne K. Ravn, Camille Z. Rubel, Mizhi Xu, Yue Fu, Ethan M. Wagner, Steven R. Wisniewski, Peng Liu, Will R. Gutekunst, Keary M. Engle

Nature Synthesis, 2024 Aug 8

221. Stereodivergent photobiocatalytic radical cyclization through the repurposing and directed evolution of fatty acid photodecarboxylases

Shuyun Ju, Dian Li, Binh Khanh Mai, Xin Liu, Alec Vallota-Eastman, Jianping Wu, David L. Valentine, Peng Liu, Yang Yang

Nature Chemistry, vol. 16, 2024 Aug 1, pp. 1339-1347

222. Biocatalytic enantioselective C(sp3)--H fluorination enabled by directed evolution of non-haem iron enzymes

Liu-Peng Zhao, Binh Khanh Mai, Lida Cheng, Fangqiu Gao, Yunlong Zhao, Rui Guo, Hao Wu, Yongda Zhang, Peng Liu, Yang Yang

Nature Synthesis, vol. 3, 2024 Aug 1, pp. 967-975

228. Machine learning-guided co-optimization of fitness and diversity facilitates combinatorial library design in enzyme engineering

Kerr Ding, Michael Chin, Yunlong Zhao, Wei Huang, Binh Khanh Mai, Huanan Wang, Peng Liu, Yang Yang, Yunan Luo

Nature Communications, vol. 15, 2024 Jul 29, p. 6392

225. Stereospecific alkenylidene homologation of organoboronates by SNV reaction

Miao Chen, Christian D. Knox, Mithun C. Madhusudhanan, Thomas H. Tugwell, Coco Liu, Peng Liu, Guangbin Dong

Nature, vol. 631, 2024 Jul 1, pp. 328-334

218. A catalytic process enables efficient and programmable access to precisely altered indole alkaloid scaffolds

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

Nature Chemistry, vol. 16, 2024 Jun 1, pp. 1003-1014

223. Stereoselective amino acid synthesis by photobiocatalytic oxidative coupling

Tian-Ci Wang, Binh Khanh Mai, Zheng Zhang, Zhiyu Bo, Jiedong Li, Peng Liu, Yang Yang

Nature, vol. 629, 2024 May 1, pp. 98-104

216. Synthesis of alkenyl boronates through stereoselective vinylene homologation of organoboronates

Miao Chen, Thomas H. Tugwell, Peng Liu, Guangbin Dong

Nature Synthesis, vol. 3, 2024 Mar 1, pp. 337-346

213. Modular synthesis of 1,2-azaborines via ring-opening BN-isostere benzannulation

Hairong Lyu, Thomas H. Tugwell, Zhijie Chen, Garrett A. Kukier, Aneta Turlik, Yifei Wu, K. N. Houk, Peng Liu, Guangbin Dong

Nature Chemistry, vol. 16, 2024 Feb 1, pp. 269-276

214. Modular synthesis of 1,2-azaborines via ring-opening BN-isostere benzannulation

Hairong Lyu, Thomas H. Tugwell, Zhijie Chen, Garrett A. Kukier, Aneta Turlik, Yifei Wu, K. N. Houk, Peng Liu, Guangbin Dong

Nature Chemistry, vol. 16, 2024 Feb 1, pp. 269-276

195. Excited-State Palladium-Catalyzed α-Selective C1-Ketonylation

Gaoyuan Zhao, Upasana Mukherjee, Lin Zhou, Jaclyn N. Mauro, Yue Wu, Peng Liu, Ming-Yu Ngai

CCS Chemistry, vol. 5, 2023, pp. 106-116

200. Synthesis and Characterization of Post-β-Carbon-Elimination Organopalladium Complexes

Taeho Kang, Yue Fu, Rei Li-Matsuura, Anna L. Liu, Tanner C. Jankins, Arnold L. Rheingold, Jake B. Bailey, Milan Gembicky, Peng Liu, Keary M. Engle

Organometallics, vol. 42, 2023, pp. 11-15

201. Designed Iron Catalysts for Allylic C−H Functionalization of Propylene and Simple Olefins

Ruihan Wang, Yidong Wang, Ruiqi Ding, Parker B. Staub, Christopher Z. Zhao, Peng Liu, Yi-Ming Wang

Angewandte Chemie International Edition, vol. 62, 2023, pp. e202216309

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

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

Journal of the American Chemical Society, vol. 145, 2023, pp. 3774-3785

203. Enantioselective Hydroalkenylation and Hydroalkynylation of Alkenes Enabled by a Transient Directing Group: Catalyst Generality through Rigidification

Amit Kumar Simlandy, Turki M. Alturaifi, Johny M. Nguyen, Lucas J. Oxtoby, Quynh Nguyen Wong, Jason S. Chen, Peng Liu, Keary M. Engle

Angewandte Chemie International Edition, vol. 62, 2023, pp. e202304013

204. Escape from Palladium: Nickel-Catalyzed Catellani Annulation

Jingfeng Huo, Yue Fu, Melody J. Tang, Peng Liu, Guangbin Dong

Journal of the American Chemical Society, vol. 145, 2023, pp. 11005-11011

205. Photochemically Driven Nickel-Catalyzed Carboxylative C−N Coupling: Scope and Mechanism

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

Chemistry – A European Journal, vol. 29, 2023, pp. e202301271

206. Redox-Paired Alkene Difunctionalization Enables Skeletally Divergent Synthesis

Hui-Qi Ni, Malkanthi K. Karunananda, Tian Zeng, Shenghua Yang, Zhen Liu, K.N. Houk, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 145, 2023, pp. 12351-12359

208. Stereoselective amino acid synthesis by synergistic photoredox-pyridoxal radical biocatalysis

Lei Cheng, Dian Li, Binh Khanh Mai, Zhiyu Bo, Lida Cheng, Peng Liu, Yang Yang

Science, vol. 381, 2023, pp. 444-451

209. Dynamic Kinetic Stereoselective Glycosylation via RhII and Chiral Phosphoric Acid-Cocatalyzed Carbenoid Insertion to the Anomeric OH Bond for the Synthesis of Glycoconjugates

Jicheng Wu, Peijing Jia, Rositha Kuniyil, Peng Liu, Weiping Tang

Angewandte Chemie International Edition, vol. 62, 2023, pp. e202307144

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

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

Journal of the American Chemical Society, vol. 145, 2023, pp. 17557-17563

212. Palladium/Norbornene-Catalyzed Direct Vicinal Di-Carbo-Functionalization of Indoles: Reaction Development and Mechanistic Study

Xin Liu, Yun Zhou, Xiaotian Qi, Renhe Li, Peng Liu, Guangbin Dong

Angewandte Chemie International Edition, vol. 62, 2023, pp. e202310697

211. Ortho-C--H methoxylation of aryl halides enabled by a polarity-reversed N--O reagent

Xin Liu, Yue Fu, Zhijie Chen, Peng Liu, Guangbin Dong

Nature Chemistry, vol. 15, 2023 Oct 1, pp. 1391-1399

207. Enzyme-controlled stereoselective radical cyclization to arenes enabled by metalloredox biocatalysis

Wenzhen Fu, Natalia M. Neris, Yue Fu, Yunlong Zhao, Benjamin Krohn-Hansen, Peng Liu, Yang Yang

Nature Catalysis, vol. 6, 2023 Jul 1, pp. 628-636

177. Mechanism-Based Approach to Reagent Selection for Oxidative Carbon−Hydrogen Bond Cleavage Reactions

Jenna L. Miller, Lin Zhou, Peng Liu, Paul E. Floreancig

Chemistry – A European Journal, vol. 28, 2022, pp. e202103078

179. Rh(I)-Catalyzed Allenic Pauson–Khand Reaction to Access the Thapsigargin Core: Influence of Furan and Allenyl Chloroacetate Groups on Enantioselectivity

Eric D. Deihl, Luke T. Jesikiewicz, Logan J. Newman, Peng Liu, Kay M. Brummond

Organic Letters, vol. 24, 2022, pp. 995-999

180. Origins of Catalyst-Controlled Selectivity in Ag-Catalyzed Regiodivergent C–H Amination

Yue Fu, Emily E. Zerull, Jennifer M. Schomaker, Peng Liu

Journal of the American Chemical Society, vol. 144, 2022, pp. 2735-2746

181. Excited-State Palladium-Catalyzed Radical Migratory Mizoroki–Heck Reaction Enables C2-Alkenylation of Carbohydrates

Wang Yao, Gaoyuan Zhao, Yue Wu, Lin Zhou, Upasana Mukherjee, Peng Liu, Ming-Yu Ngai

Journal of the American Chemical Society, vol. 144, 2022, pp. 3353-3359

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

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

ACS Catalysis, vol. 12, 2022, pp. 3660-3668

183. Confronting the Challenging Asymmetric Carbonyl 1,2-Addition Using Vinyl Heteroarene Pronucleophiles: Ligand-Controlled Regiodivergent Processes through a Dearomatized Allyl–Cu Species

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

Journal of the American Chemical Society, vol. 144, 2022, pp. 5985-5995

184. PdII-Catalyzed C(alkenyl)−H Activation Facilitated by a Transient Directing Group

Mingyu Liu, Juntao Sun, Tuğçe G. Erbay, Hui-Qi Ni, Raúl Martín-Montero, Peng Liu, Keary M. Engle

Angewandte Chemie International Edition, vol. 61, 2022, pp. e202203624

185. C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift

Gaoyuan Zhao, Upasana Mukherjee, Lin Zhou, Yue Wu, Wang Yao, Jaclyn N. Mauro, Peng Liu, Ming-Yu Ngai

Chem. Sci., vol. 13(21), The Royal Society of Chemistry, 2022, pp. 6276-6282

186. C–N Bond Forming Radical Rebound Is the Enantioselectivity-Determining Step in P411-Catalyzed Enantioselective C(sp3)–H Amination: A Combined Computational and Experimental Investigation

Binh Khanh Mai, Natalia M. Neris, Yang Yang, Peng Liu

Journal of the American Chemical Society, vol. 144, 2022, pp. 11215-11225

189. Chiral Amines via Enantioselective π-Allyliridium-C,O-Benzoate-Catalyzed Allylic Alkylation: Student Training via Industrial–Academic Collaboration

Craig E. Stivala, Jason R. Zbieg, Peng Liu, Michael J. Krische

Accounts of Chemical Research, vol. 55, 2022, pp. 2138-2147

190. Engineered P450 Atom-Transfer Radical Cyclases are Bifunctional Biocatalysts: Reaction Mechanism and Origin of Enantioselectivity

Yue Fu, Heyu Chen, Wenzhen Fu, Marc Garcia-Borràs, Yang Yang, Peng Liu

Journal of the American Chemical Society, vol. 144, 2022, pp. 13344-13355

191. Thiol Reactivity of N-Aryl α-Methylene-γ-lactams: Influence of the Guaianolide Structure

Daniel P. Dempe, Chong-Lei Ji, Peng Liu, Kay M. Brummond

The Journal of Organic Chemistry, vol. 87, 2022, pp. 11204-11217

192. Mechanistic Basis for the Iridium-Catalyzed Enantioselective Allylation of Alkenyl Boronates

Colton R. Davis, Yue Fu, Peng Liu, Joseph M. Ready

Journal of the American Chemical Society, vol. 144, 2022, pp. 16118-16130

193. Copper Hydride-Catalyzed Enantioselective Olefin Hydromethylation

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

Journal of the American Chemical Society, vol. 144, 2022, pp. 16303-16309

194. A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System

Edward Miller, Binh Khanh Mai, Jacquelyne A. Read, William C. Bell, Jeffrey S. Derrick, Peng Liu, F. Dean Toste

ACS Catalysis, vol. 12, 2022, pp. 12369-12385

196. Three-Component Asymmetric Ni-Catalyzed 1,2-Dicarbofunctionalization of Unactivated Alkenes via Stereoselective Migratory Insertion

Omar Apolinar, Taeho Kang, Turki M. Alturaifi, Pranali G. Bedekar, Camille Z. Rubel, Joseph Derosa, Brittany B. Sanchez, Quynh Nguyen Wong, Emily J. Sturgell, Jason S. Chen, Steven R. Wisniewski, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 144, 2022, pp. 19337-19343

197. Catalytic Addition of Nitroalkanes to Unactivated Alkenes via Directed Carbopalladation

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

ACS Catalysis, vol. 12, 2022, pp. 13755-13762

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

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

Journal of the American Chemical Society, vol. 144, 2022, pp. 21318-21327

199. Diastereo- and enantioselective synthesis of compounds with a trifluoromethyl- and fluoro-substituted carbon centre

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, Amir H. Hoveyda

Nature Chemistry, vol. 14, 2022 Dec 1, pp. 1459-1469

187. Synthesis of (+)-ribostamycin by catalytic, enantioselective hydroamination of benzene

Chad N. Ungarean, Petra Galer, Yu Zhang, Ken S. Lee, Justin M. Ngai, Sungjong Lee, Peng Liu, David Sarlah

Nature Synthesis, vol. 1, 2022 Jul 1, pp. 542-547

188. Low-valent tungsten redox catalysis enables controlled isomerization and carbonylative functionalization of alkenes

Tanner C. Jankins, William C. Bell, Yu Zhang, Zi-Yang Qin, Jason S. Chen, Milan Gembicky, Peng Liu, Keary M. Engle

Nature Chemistry, vol. 14, 2022 Jun 1, pp. 632-639

146. Total Synthesis of C-α-Mannosyl Tryptophan via Palladium-Catalyzed C–H Glycosylation

Quanquan Wang, Yue Fu, Wanjun Zhu, Shuang An, Qianyi Zhou, Shou-Fei Zhu, Gang He, Peng Liu, Gong Chen

CCS Chemistry, vol. 3, 2021, pp. 1729-1736

155. Organophosphorus-catalyzed relay oxidation of H-Bpin: electrophilic C–H borylation of heteroarenes

Jeffrey M. Lipshultz, Yue Fu, Peng Liu, Alexander T. Radosevich

Chem. Sci., vol. 12(3), The Royal Society of Chemistry, 2021, pp. 1031-1037

156. Mechanism and Origins of Enantioselectivity in the Rh(I)-Catalyzed Pauson–Khand Reaction: Comparison of Bidentate and Monodentate Chiral Ligands

Lauren C. Burrows, Luke T. Jesikiewicz, Peng Liu, Kay M. Brummond

ACS Catalysis, vol. 11, 2021, pp. 323-336

158. Ab Initio Molecular Dynamics Simulations of the SN1/SN2 Mechanistic Continuum in Glycosylation Reactions

Yue Fu, Leonardo Bernasconi, Peng Liu

Journal of the American Chemical Society, vol. 143, 2021, pp. 1577-1589

159. [2π + 2π] Photocycloaddition of Enones to Single-Walled Carbon Nanotubes Creates Fluorescent Quantum Defects

Xiaoyun He, Ilia Kevlishvili, Katherina Murcek, Peng Liu, Alexander Star

ACS Nano, vol. 15, 2021, pp. 4833-4844

160. One-electron reduction induced spin transition in Fe(II) spin crossover molecules and the effect of the ligand

Hua Hao, Ting Jia, Xiaohong Zheng, Peng Liu, Zhi Zeng

J. Mater. Chem. C, vol. 9(14), The Royal Society of Chemistry, 2021, pp. 4808-4814

161. Ligand Conformational Flexibility Enables Enantioselective Tertiary C–B Bond Formation in the Phosphonate-Directed Catalytic Asymmetric Alkene Hydroboration

Huiling Shao, Suman Chakrabarty, Xiaotian Qi, James M. Takacs, Peng Liu

Journal of the American Chemical Society, vol. 143, 2021, pp. 4801-4808

162. Stereoselective Palladium-Catalyzed Base-Free Suzuki–Miyaura Cross-Coupling of Tetrasubstituted gem-Difluoroalkenes: An Experimental and Computational Study

Yanhui Wang, Xiaotian Qi, Qiao Ma, Peng Liu, Gavin Chit Tsui

ACS Catalysis, vol. 11, 2021, pp. 4799-4809

163. Boron insertion into alkyl ether bonds via zinc/nickel tandem catalysis

Hairong Lyu, Ilia Kevlishvili, Xuan Yu, Peng Liu, Guangbin Dong

Science, vol. 372, 2021, pp. 175-182

164. Ruthenabenzene: A Robust Precatalyst

Saswata Gupta, Siyuan Su, Yu Zhang, Peng Liu, Donald J. Wink, Daesung Lee

Journal of the American Chemical Society, vol. 143, 2021, pp. 7490-7500

165. Energy Decomposition Analysis Reveals the Nature of Lone Pair−π Interactions with Cationic π Systems in Catalytic Acyl Transfer Reactions

Hua Hao, Xiaotian Qi, Weiping Tang, Peng Liu

Organic Letters, vol. 23, 2021, pp. 4411-4414

166. Nickel-Catalyzed Radical Migratory Coupling Enables C-2 Arylation of Carbohydrates

Gaoyuan Zhao, Wang Yao, Ilia Kevlishvili, Jaclyn N. Mauro, Peng Liu, Ming-Yu Ngai

Journal of the American Chemical Society, vol. 143, 2021, pp. 8590-8596

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

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

Journal of the American Chemical Society, vol. 143, 2021, pp. 9343-9349

168. Zirconium-redox-shuttled cross-electrophile coupling of aromatic and heteroaromatic halides

Ting-Feng Wu, Yue-Jiao Zhang, Yue Fu, Fang-Jie Liu, Jian-Tao Tang, Peng Liu, F. Dean Toste, Baihua Ye

Chem, vol. 7, 2021, pp. 1963-1974

169. Tandem Iridium Catalysis as a General Strategy for Atroposelective Construction of Axially Chiral Styrenes

Jie Wang, Xiaotian Qi, Xiao-Long Min, Wenbin Yi, Peng Liu, Ying He

Journal of the American Chemical Society, vol. 143, 2021, pp. 10686-10694

170. Development and Mechanistic Studies of the Iridium-Catalyzed C−H Alkenylation of Enamides with Vinyl Acetates: A Versatile Approach for Ketone Functionalization

Bo Zhou, Xiaotian Qi, Peng Liu, Guangbin Dong

Angewandte Chemie International Edition, vol. 60, 2021, pp. 20926-20934

171. A “Traceless” Directing Group Enables Catalytic SN2 Glycosylation toward 1,2-cis-Glycopyranosides

Xu Ma, Zhitong Zheng, Yue Fu, Xijun Zhu, Peng Liu, Liming Zhang

Journal of the American Chemical Society, vol. 143, 2021, pp. 11908-11913

172. Thiol Reactivity of N-Aryl α-Methylene-γ-lactams: A Reactive Group for Targeted Covalent Inhibitor Design

Tuğçe G. Erbay, Daniel P. Dempe, Bhaskar Godugu, Peng Liu, Kay M. Brummond

The Journal of Organic Chemistry, vol. 86, 2021, pp. 11926-11936

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

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

Journal of the American Chemical Society, vol. 143, 2021, pp. 13759-13768

174. Monovalent Nickel-Mediated Radical Formation: A Concerted Halogen-Atom Dissociation Pathway Determined by Electroanalytical Studies

Qiao Lin, Yue Fu, Peng Liu, Tianning Diao

Journal of the American Chemical Society, vol. 143, 2021, pp. 14196-14206

175. P-stereogenic N-vinylphosphonamides enabled by asymmetric allylic substitution-isomerization

Xiu-Lian Zhang, Xiaotian Qi, Ying-Xiang Wu, Peng Liu, Ying He

Cell Reports Physical Science, vol. 2, 2021, p. 100594

177. Nickel-Catalyzed Dearomative Arylboration of Indoles: Regioselective Synthesis of C2- and C3-Borylated Indolines

Grace L. Trammel, Rositha Kuniyil, Phillip F. Crook, Peng Liu, M. Kevin Brown

Journal of the American Chemical Society, vol. 143, 2021, pp. 16502-16511

178. Stereodivergent atom-transfer radical cyclization by engineered cytochromes P450

Qi Zhou, Michael Chin, Yue Fu, Peng Liu, Yang Yang

Science, vol. 374, 2021, pp. 1612-1616

126. The Thermal Rearrangement of an NHC-Ligated 3-Benzoborepin to an NHC-Boranorcaradiene

Masaki Shimoi, Ilia Kevlishvili, Takashi Watanabe, Katsuhiro Maeda, Steven J. Geib, Dennis P. Curran, Peng Liu, Tsuyoshi Taniguchi

Angewandte Chemie International Edition, vol. 59, 2020, pp. 903-909

129. Asymmetric Synthesis of β-Lactam via Palladium-Catalyzed Enantioselective Intramolecular C(sp3)–H Amidation

Hua-Rong Tong, Wenrui Zheng, Xiaoyan Lv, Gang He, Peng Liu, Gong Chen

ACS Catalysis, vol. 10, 2020, pp. 114-120

131. Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes

Sheng Feng, Hua Hao, Peng Liu, Stephen L. Buchwald

ACS Catalysis, vol. 10, 2020, pp. 282-291

134. Entry to 1,2,3,4-Tetrasubstituted Arenes through Addressing the “Meta Constraint” in the Palladium/Norbornene Catalysis

Jianchun Wang, Yun Zhou, Xiaolong Xu, Peng Liu, Guangbin Dong

Journal of the American Chemical Society, vol. 142, 2020, pp. 3050-3059

135. Concerted [4 + 2] and Stepwise (2 + 2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

Dennis Svatunek, Ryan P. Pemberton, Joel L. Mackey, Peng Liu, K. N. Houk

The Journal of Organic Chemistry, vol. 85, 2020, pp. 3858-3864

136. Computational Investigations of the Effects of N-Heterocyclic Carbene Ligands on the Mechanism, Reactivity, and Regioselectivity of Rh-Catalyzed Hydroborations

Huiling Shao, Yuening Wang, Christopher W. Bielawski, Peng Liu

ACS Catalysis, vol. 10, 2020, pp. 3820-3827

137. A Transient-Directing-Group Strategy Enables Enantioselective Reductive Heck Hydroarylation of Alkenes

Lucas J. Oxtoby, Zi-Qi Li, Van T. Tran, Tuğçe G. Erbay, Ruohan Deng, Peng Liu, Keary M. Engle

Angewandte Chemie International Edition, vol. 59, 2020, pp. 8885-8890

138. β-Mannosylation through O-Alkylation of Anomeric Cesium Alkoxides: Mechanistic Studies and Synthesis of the Hexasaccharide Core of Complex Fucosylated N-Linked Glycans

Shuai Meng, Bishwa Raj Bhetuwal, Hai Nguyen, Xiaotian Qi, Cheng Fang, Kevin Saybolt, Xiaohua Li, Peng Liu, Jianglong Zhu

European Journal of Organic Chemistry, vol. 2020, 2020, pp. 2291-2301

140. 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles

Claudio Zambaldo, Ekaterina V. Vinogradova, Xiaotian Qi, Jonathan Iaconelli, Radu M. Suciu, Minseob Koh, Kristine Senkane, Stormi R. Chadwick, Brittany B. Sanchez, Jason S. Chen, Arnab K. Chatterjee, Peng Liu, Peter G. Schultz, Benjamin F. Cravatt, Michael J. Bollong

Journal of the American Chemical Society, vol. 142, 2020, pp. 8972-8979

141. Regioselective, Photocatalytic α-Functionalization of Amines

Lingying Leng, Yue Fu, Peng Liu, Joseph M. Ready

Journal of the American Chemical Society, vol. 142, 2020, pp. 11972-11977

141. Synthesis of Pyrroles through the CuH-Catalyzed Coupling of Enynes and Nitriles

Yujing Zhou, Lin Zhou, Luke T. Jesikiewicz, Peng Liu, Stephen L. Buchwald

Journal of the American Chemical Society, vol. 142, 2020, pp. 9908-9914

142. Highly Enantioselective Synthesis of Indazoles with a C3-Quaternary Chiral Center Using CuH Catalysis

Yuxuan Ye, Ilia Kevlishvili, Sheng Feng, Peng Liu, Stephen L. Buchwald

Journal of the American Chemical Society, vol. 142, 2020, pp. 10550-10556

143. Metal-Free C–C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In Situ Generation of Sulfinate Anion

Humair M. Omer, Peng Liu, Kay M. Brummond

The Journal of Organic Chemistry, vol. 85, 2020, pp. 7959-7975

144. Stereodivergent Alkyne Hydrofluorination Using Protic Tetrafluoroborates as Tunable Reagents

Rui Guo, Xiaotian Qi, Hengye Xiang, Paul Geaneotes, Ruihan Wang, Peng Liu, Yi-Ming Wang

Angewandte Chemie International Edition, vol. 59, 2020, pp. 16651-16660

147. Redox-Neutral TEMPO Catalysis: Direct Radical (Hetero)Aryl C−H Di- and Trifluoromethoxylation

Johnny W. Lee, Sanghyun Lim, Daniel N. Maienshein, Peng Liu, Ming-Yu Ngai

Angewandte Chemie International Edition, vol. 59, 2020, pp. 21475-21480

148. The 3Dmol.js Learning Environment: A Classroom Response System for 3D Chemical Structures

Keshavan Seshadri, Peng Liu, David Ryan Koes

Journal of Chemical Education, vol. 97, 2020, pp. 3872-3876

149. Asymmetric allylic substitution–isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer

Chao Sun, Xiaotian Qi, Xiao-Long Min, Xue-Dan Bai, Peng Liu, Ying He

Chem. Sci., vol. 11(37), The Royal Society of Chemistry, 2020, pp. 10119-10126

150. Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids

Zi-Qi Li, Yue Fu, Ruohan Deng, Van T. Tran, Yang Gao, Peng Liu, Keary M. Engle

Angewandte Chemie International Edition, vol. 59, 2020, pp. 23306-23312

151. Controlling cyclization pathways in palladium(II)-catalyzed intramolecular alkene hydro-functionalization via substrate directivity

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

Chem. Sci., vol. 11(41), The Royal Society of Chemistry, 2020, pp. 11307-11314

152. Application of Trimethylgermanyl-Substituted Bisphosphine Ligands with Enhanced Dispersion Interactions to Copper-Catalyzed Hydroboration of Disubstituted Alkenes

Yumeng Xi, Bo Su, Xiaotian Qi, Shayun Pedram, Peng Liu, John F. Hartwig

Journal of the American Chemical Society, vol. 142, 2020, pp. 18213-18222

153. Compatibility Score for Rational Electrophile Selection in Pd/NBE Cooperative Catalysis

Xiaotian Qi, Jianchun Wang, Zhe Dong, Guangbin Dong, Peng Liu

Chem, vol. 6, 2020, pp. 2810-2825

154. Multifaceted Substrate–Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds

Taeho Kang, Tuğçe G. Erbay, Kane L. Xu, Gary M. Gallego, Alexander Burtea, Sajiv K. Nair, Ryan L. Patman, Ru Zhou, Scott C. Sutton, Indrawan J. McAlpine, Peng Liu, Keary M. Engle

ACS Catalysis, vol. 10, 2020, pp. 13075-13083

157. Anti-selective [3+2] (Hetero)annulation of non-conjugated alkenes via directed nucleopalladation

Hui-Qi Ni, Ilia Kevlishvili, Pranali G. Bedekar, Joyann S. Barber, Shouliang Yang, Michelle Tran-Dub{\'e}, Andrew M. Romine, Hou-Xiang Lu, Indrawan J. McAlpine, Peng Liu, Keary M. Engle

Nature Communications, vol. 11, 2020 Dec 22, p. 6432

139. Bias induced spin state transition mediated by electron excitations

Hua Hao, Ting Jia, Xiaohong Zheng, Peng Liu, Zhi Zeng

The Journal of Chemical Physics, vol. 152, 2020 Apr, p. 134301

132. Cascade CuH-catalysed conversion of alkynes into enantioenriched 1,1-disubstituted products

De-Wei Gao, Yang Gao, Huiling Shao, Tian-Zhang Qiao, Xin Wang, Brittany B. Sanchez, Jason S. Chen, Peng Liu, Keary M. Engle

Nature Catalysis, vol. 3, 2020 Jan 1, pp. 23-29

106. Intermolecular Regio- and Stereoselective Hetero-[5+2] Cycloaddition of Oxidopyrylium Ylides and Cyclic Imines

Changgui Zhao, Daniel A. Glazier, Daoshan Yang, Dan Yin, IIia A. Guzei, Michael M. Aristov, Peng Liu, Weiping Tang

Angewandte Chemie International Edition, vol. 58, 2019, pp. 887-891

107. A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone

Vignesh Palani, Cedric L. Hugelshofer, Ilia Kevlishvili, Peng Liu, Richmond Sarpong

Journal of the American Chemical Society, vol. 141, 2019, pp. 2652-2660

108. Branched-Selective Direct α-Alkylation of Cyclic Ketones with Simple Alkenes

Dong Xing, Xiaotian Qi, Daniel Marchant, Peng Liu, Guangbin Dong

Angewandte Chemie International Edition, vol. 58, 2019, pp. 4366-4370

110. Sequence-Controlled Polymers Through Entropy-Driven Ring-Opening Metathesis Polymerization: Theory, Molecular Weight Control, and Monomer Design

Jamie A. Nowalk, Cheng Fang, Amy L. Short, Ryan M. Weiss, Jordan H. Swisher, Peng Liu, Tara Y. Meyer

Journal of the American Chemical Society, vol. 141, 2019, pp. 5741-5752

112. Catalytic radical difluoromethoxylation of arenes and heteroarenes

Johnny W. Lee, Weijia Zheng, Cristian A. Morales-Rivera, Peng Liu, Ming-Yu Ngai

Chem. Sci., vol. 10(11), The Royal Society of Chemistry, 2019, pp. 3217-3222

113. CuH-Catalyzed Enantioselective Ketone Allylation with 1,3-Dienes: Scope, Mechanism, and Applications

Chengxi Li, Richard Y. Liu, Luke T. Jesikiewicz, Yang Yang, Peng Liu, Stephen L. Buchwald

Journal of the American Chemical Society, vol. 141, 2019, pp. 5062-5070

114. Computational Study of the Ni-Catalyzed C–H Oxidative Cycloaddition of Aromatic Amides with Alkynes

Humair M. Omer, Peng Liu

ACS Omega, vol. 4, 2019, pp. 5209-5220

115. Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

Cheng Fang, Marco Fantin, Xiangcheng Pan, Kurt de Fiebre, Michelle L. Coote, Krzysztof Matyjaszewski, Peng Liu

Journal of the American Chemical Society, vol. 141, 2019, pp. 7486-7497

116. β-Selective Aroylation of Activated Alkenes by Photoredox Catalysis

Zhen Lei, Arghya Banerjee, Elena Kusevska, Eric Rizzo, Peng Liu, Ming-Yu Ngai

Angewandte Chemie International Edition, vol. 58, 2019, pp. 7318-7323

117. S-Adamantyl Group Directed Site-Selective Acylation: Applications in Streamlined Assembly of Oligosaccharides

Stephanie A. Blaszczyk, Guozhi Xiao, Peng Wen, Hua Hao, Jessica Wu, Bo Wang, Francisco Carattino, Ziyuan Li, Daniel A. Glazier, Bethany J. McCarty, Peng Liu, Weiping Tang

Angewandte Chemie International Edition, vol. 58, 2019, pp. 9542-9546

118. Ni-Catalyzed Arylboration of Unactivated Alkenes: Scope and Mechanistic Studies

Stephen R. Sardini, Alison L. Lambright, Grace L. Trammel, Humair M. Omer, Peng Liu, M. Kevin Brown

Journal of the American Chemical Society, vol. 141, 2019, pp. 9391-9400

119. Energy Decomposition Analyses Reveal the Origins of Catalyst and Nucleophile Effects on Regioselectivity in Nucleopalladation of Alkenes

Xiaotian Qi, Daniel G. Kohler, Kami L. Hull, Peng Liu

Journal of the American Chemical Society, vol. 141, 2019, pp. 11892-11904

120. Redox-switchable olefin cross metathesis (CM) reactions and acyclic diene metathesis (ADMET) polymerizations

Yeonkyeong Ryu, Huiling Shao, Guillermo Ahumada, Peng Liu, Christopher W. Bielawski

Mater. Chem. Front., vol. 3(10), The Royal Society of Chemistry, 2019, pp. 2083-2089

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

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

ACS Catalysis, vol. 9, 2019, pp. 9158-9163

123. Kinetic Resolution via Rh-Catalyzed C–C Activation of Cyclobutanones at Room Temperature

Lin Deng, Yue Fu, Siu Yin Lee, Chengpeng Wang, Peng Liu, Guangbin Dong

Journal of the American Chemical Society, vol. 141, 2019, pp. 16260-16265

125. Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity

Jose M. Medina, Taeho Kang, Tuğçe G. Erbay, Huiling Shao, Gary M. Gallego, Shouliang Yang, Michelle Tran-Dubè, Paul F. Richardson, Joseph Derosa, Ryan T. Helsel, Ryan L. Patman, Fen Wang, Christopher P. Ashcroft, John F. Braganza, Indrawan McAlpine, Peng Liu, Keary M. Engle

ACS Catalysis, vol. 9, 2019, pp. 11130-11136

127. Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl–Aryl Bonds: Reaction Development and Mechanistic Study

Jun Zhu, Peng-hao Chen, Gang Lu, Peng Liu, Guangbin Dong

Journal of the American Chemical Society, vol. 141, 2019, pp. 18630-18640

128. Kinetics and Inverse Temperature Dependence of a Tsuji–Trost Reaction in Aqueous Buffer

Ivanna Pohorilets, Matthew P. Tracey, Michael J. LeClaire, Emily M. Moore, Gang Lu, Peng Liu, Kazunori Koide

ACS Catalysis, vol. 9, 2019, pp. 11720-11733

130. Site-Selective and Stereoselective O-Alkylation of Glycosides by Rh(II)-Catalyzed Carbenoid Insertion

Jicheng Wu, Xiaolei Li, Xiaotian Qi, Xiyan Duan, Weston L. Cracraft, Ilia A. Guzei, Peng Liu, Weiping Tang

Journal of the American Chemical Society, vol. 141, 2019, pp. 19902-19910

124. An enzymatic platform for the asymmetric amination of primary, secondary and tertiary C(sp3)--H bonds

Yang Yang, Inha Cho, Xiaotian Qi, Peng Liu, Frances H. Arnold

Nature Chemistry, vol. 11, 2019 Nov 1, pp. 987-993

109. Deacylative transformations of ketones via aromatization-promoted C--C bond activation

Yan Xu, Xiaotian Qi, Pengfei Zheng, Carlo C. Berti, Peng Liu, Guangbin Dong

Nature, vol. 567, 2019 Mar 1, pp. 373-378

100. Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp3)–H Bonds

Yaxin Wang, Xiafei Hu, Cristian A. Morales-Rivera, Guo-Xing Li, Xin Huang, Gang He, Peng Liu, Gong Chen

Journal of the American Chemical Society, vol. 140, 2018, pp. 9678-9684

102. Mechanistic Insights into the ReIO2(PPh3)2-Promoted Reductive Coupling of Alcohols

Camille Boucher-Jacobs, Peng Liu, Kenneth M. Nicholas

Organometallics, vol. 37, 2018, pp. 2468-2480

104. Redox-Active Reagents for Photocatalytic Generation of the OCF3 Radical and (Hetero)Aryl C−H Trifluoromethoxylation

Weijia Zheng, Johnny W. Lee, Cristian A. Morales-Rivera, Peng Liu, Ming-Yu Ngai

Angewandte Chemie International Edition, vol. 57, 2018, pp. 13795-13799

105. Mechanistically Guided Design of Ligands That Significantly Improve the Efficiency of CuH-Catalyzed Hydroamination Reactions

Andy A. Thomas, Klaus Speck, Ilia Kevlishvili, Zhaohong Lu, Peng Liu, Stephen L. Buchwald

Journal of the American Chemical Society, vol. 140, 2018, pp. 13976-13984

89. Catalytic C−H Trifluoromethoxylation of Arenes and Heteroarenes

Weijia Zheng, Cristian A. Morales-Rivera, Johnny W. Lee, Peng Liu, Ming-Yu Ngai

Angewandte Chemie International Edition, vol. 57, 2018, pp. 9645-9649

91. Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells

Peng An, Tracey M. Lewandowski, Tuğçe G. Erbay, Peng Liu, Qing Lin

Journal of the American Chemical Society, vol. 140, 2018, pp. 4860-4868

93. Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium–Aminophosphine Complexes

Crystal K. Chu, Tzu-Pin Lin, Huiling Shao, Allegra L. Liberman-Martin, Peng Liu, Robert H. Grubbs

Journal of the American Chemical Society, vol. 140, 2018, pp. 5634-5643

94. C(alkenyl)–H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis

Mingyu Liu, Pusu Yang, Malkanthi K. Karunananda, Yanyan Wang, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 140, 2018, pp. 5805-5813

95. An Initiation Kinetics Prediction Model Enables Rational Design of Ruthenium Olefin Metathesis Catalysts Bearing Modified Chelating Benzylidenes

Shao-Xiong Lennon Luo, Keary M. Engle, Xiaofei Dong, Andrew Hejl, Michael K. Takase, Lawrence M. Henling, Peng Liu, K. N. Houk, Robert H. Grubbs

ACS Catalysis, vol. 8, 2018, pp. 4600-4611

96. Methylene Blue Catalyzed Oxidative Cleavage of Electron-Deficient Indoles

Kui Wu, Cheng Fang, Sarbjeet Kaur, Peng Liu, Ting Wang

Synthesis, vol. 50(15), 2018, pp. 2897–2907

97. Traversing Steric Limitations by Cooperative Lewis Base/Palladium Catalysis: An Enantioselective Synthesis of α-Branched Esters Using 2-Substituted Allyl Electrophiles

Kevin J. Schwarz, Colin M. Pearson, Gabriel A. Cintron-Rosado, Peng Liu, Thomas N. Snaddon

Angewandte Chemie International Edition, vol. 57, 2018, pp. 7800-7803

98. Modular ipso/ortho Difunctionalization of Aryl Bromides via Palladium/Norbornene Cooperative Catalysis

Zhe Dong, Gang Lu, Jianchun Wang, Peng Liu, Guangbin Dong

Journal of the American Chemical Society, vol. 140, 2018, pp. 8551-8562

99. Cis-Selective Metathesis to Enhance the Living Character of Ring-Opening Polymerization: An Approach to Sequenced Copolymers

Amy L. Short, Cheng Fang, Jamie A. Nowalk, Ryan M. Weiss, Peng Liu, Tara Y. Meyer

ACS Macro Letters, vol. 7, 2018, pp. 858-862

103. H-bonded reusable template assisted para-selective ketonisation using soft electrophilic vinyl ethers

Arun Maji, Amit Dahiya, Gang Lu, Trisha Bhattacharya, Massimo Brochetta, Giuseppe Zanoni, Peng Liu, Debabrata Maiti

Nature Communications, vol. 9, 2018 Sep 4, p. 3582

101. Complementary site-selectivity in arene functionalization enabled by overcoming the ortho constraint in palladium/norbornene catalysis

Jianchun Wang, Renhe Li, Zhe Dong, Peng Liu, Guangbin Dong

Nature Chemistry, vol. 10, 2018 Aug 1, pp. 866-872

92. A general strategy for synthesis of cyclophane-braced peptide macrocycles via palladium-catalysed intramolecular sp3 C−H arylation

Xuekai Zhang, Gang Lu, Meng Sun, Madhu Mahankali, Yanfei Ma, Mingming Zhang, Wangde Hua, Yuting Hu, Qingbing Wang, Jinghuo Chen, Gang He, Xiangbing Qi, Weijun Shen, Peng Liu, Gong Chen

Nature Chemistry, vol. 10, 2018 May 1, pp. 540-548

1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides

Ilke Ugur, Sesil Agopcan Cinar, Burcu Dedeoglu, Viktorya Aviyente, M. Frederick Hawthorne, Peng Liu, Fang Liu, K. N. Houk, Gonzalo Jiménez-Osés

The Journal of Organic Chemistry, vol. 82, 2017, pp. 5096-5101

70. A Ring-Opening Metathesis Polymerization Catalyst That Exhibits Redox-Switchable Monomer Selectivities

Dominika N. Lastovickova, Huiling Shao, Gang Lu, Peng Liu, Christopher W. Bielawski

Chemistry – A European Journal, vol. 23, 2017, pp. 5994-6000

71. A Photoswitchable Olefin Metathesis Catalyst

Aaron J. Teator, Huiling Shao, Gang Lu, Peng Liu, Christopher W. Bielawski

Organometallics, vol. 36, 2017, pp. 490-497

72. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate

Timothy R. McFadden, Cheng Fang, Steven J. Geib, Everett Merling, Peng Liu, Dennis P. Curran

Journal of the American Chemical Society, vol. 139, 2017, pp. 1726-1729

73. Catalytic Site-Selective Acylation of Carbohydrates Directed by Cation–n Interaction

Guozhi Xiao, Gabriel A. Cintron-Rosado, Daniel A. Glazier, Bao-min Xi, Can Liu, Peng Liu, Weiping Tang

Journal of the American Chemical Society, vol. 139, 2017, pp. 4346-4349

74. Using Ring Strain to Control 4π-Electrocyclization Reactions: Torquoselectivity in Ring Closing of Medium-Ring Dienes and Ring Opening of Bicyclic Cyclobutenes

Byron A. Boon, Aaron G. Green, Peng Liu, K. N. Houk, Craig A. Merlic

The Journal of Organic Chemistry, vol. 82, 2017, pp. 4613-4624

75. Rhodium-Catalyzed Enantioselective Radical Addition of CX4 Reagents to Olefins

Bo Chen, Cheng Fang, Peng Liu, Joseph M. Ready

Angewandte Chemie International Edition, vol. 56, 2017, pp. 8780-8784

76. A redox-switchable ring-closing metathesis catalyst

Dominika N. Lastovickova, Aaron J. Teator, Huiling Shao, Peng Liu, Christopher W. Bielawski

Inorg. Chem. Front., vol. 4(9), The Royal Society of Chemistry, 2017, pp. 1525-1532

77. NHC Ligands Tailored for Simultaneous Regio- and Enantiocontrol in Nickel-Catalyzed Reductive Couplings

Hengbin Wang, Gang Lu, Grant J. Sormunen, Hasnain A. Malik, Peng Liu, John Montgomery

Journal of the American Chemical Society, vol. 139, 2017, pp. 9317-9324

78. Computational Study of Ni-Catalyzed C–H Functionalization: Factors That Control the Competition of Oxidative Addition and Radical Pathways

Humair M. Omer, Peng Liu

Journal of the American Chemical Society, vol. 139, 2017, pp. 9909-9920

79. Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation

Zhen Liu, Yanyan Wang, Zichen Wang, Tian Zeng, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 139, 2017, pp. 11261-11270

80. Origins of the Stereoretentive Mechanism of Olefin Metathesis with Ru-Dithiolate Catalysts

Jessica M. Grandner, Huiling Shao, Robert H. Grubbs, Peng Liu, K. N. Houk

The Journal of Organic Chemistry, vol. 82, 2017, pp. 10595-10600

81. Intramolecular C–H Activation Reactions of Ru(NHC) Complexes Combined with H2 Transfer to Alkenes: A Theoretical Elucidation of Mechanisms and Effects of Ligands on Reactivities

Katharina Marie Wenz, Peng Liu, K. N. Houk

Organometallics, vol. 36, 2017, pp. 3613-3623

82. A unified photoredox-catalysis strategy for C(sp3)–H hydroxylation and amidation using hypervalent iodine

Guo-Xing Li, Cristian A. Morales-Rivera, Fang Gao, Yaxin Wang, Gang He, Peng Liu, Gong Chen

Chem. Sci., vol. 8(10), The Royal Society of Chemistry, 2017, pp. 7180-7185

83. Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson–Khand Reaction of Allenyl Acetates

Lauren C. Burrows, Luke T. Jesikiewicz, Gang Lu, Steven J. Geib, Peng Liu, Kay M. Brummond

Journal of the American Chemical Society, vol. 139, 2017, pp. 15022-15032

84. Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization

Miriam L. O’Duill, Rei Matsuura, Yanyan Wang, Joshua L. Turnbull, John A. Jr. Gurak, De-Wei Gao, Gang Lu, Peng Liu, Keary M. Engle

Journal of the American Chemical Society, vol. 139, 2017, pp. 15576-15579

85. Experimental and Computational Exploration of para-Selective Silylation with a Hydrogen-Bonded Template

Arun Maji, Srimanta Guin, Sheng Feng, Amit Dahiya, Vikas Kumar Singh, Peng Liu, Debabrata Maiti

Angewandte Chemie International Edition, vol. 56, 2017, pp. 14903-14907

86. Ligand–Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins

Gang Lu, Richard Y. Liu, Yang Yang, Cheng Fang, Daniel S. Lambrecht, Stephen L. Buchwald, Peng Liu

Journal of the American Chemical Society, vol. 139, 2017, pp. 16548-16555

87. Predictive Model for Oxidative C–H Bond Functionalization Reactivity with 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone

Cristian A. Morales-Rivera, Paul E. Floreancig, Peng Liu

Journal of the American Chemical Society, vol. 139, 2017, pp. 17935-17944

88. Glycosyl Cross-Coupling of Anomeric Nucleophiles: Scope, Mechanism, and Applications in the Synthesis of Aryl C-Glycosides

Feng Zhu, Jacob Rodriguez, Tianyi Yang, Ilia Kevlishvili, Eric Miller, Duk Yi, Sloane O’Neill, Michael J. Rourke, Peng Liu, Maciej A. Walczak

Journal of the American Chemical Society, vol. 139, 2017, pp. 17908-17922

60. Fundamental Difference in Reductive Lithiations with Preformed Radical Anions versus Catalytic Aromatic Electron-Transfer Agents: N,N-Dimethylaniline as an Advantageous Catalyst

Nicole Kennedy, Peng Liu, Theodore Cohen

Angewandte Chemie International Edition, vol. 55, 2016, pp. 383-386

61. Mechanism and Origins of Ligand-Controlled Linear Versus Branched Selectivity of Iridium-Catalyzed Hydroarylation of Alkenes

Genping Huang, Peng Liu

ACS Catalysis, vol. 6, 2016, pp. 809-820

62. Mechanism of Photoinduced Metal-Free Atom Transfer Radical Polymerization: Experimental and Computational Studies

Xiangcheng Pan, Cheng Fang, Marco Fantin, Nikhil Malhotra, Woong Young So, Linda A. Peteanu, Abdirisak A. Isse, Armando Gennaro, Peng Liu, Krzysztof Matyjaszewski

Journal of the American Chemical Society, vol. 138, 2016, pp. 2411-2425

63. Mechanistic studies on intramolecular C–H trifluoromethoxylation of (hetero)arenes via OCF3-migration

Katarzyna N. Lee, Zhen Lei, Cristian A. Morales-Rivera, Peng Liu, Ming-Yu Ngai

Org. Biomol. Chem., vol. 14(24), The Royal Society of Chemistry, 2016, pp. 5599-5605

64. Rhodium-Catalyzed Intramolecular [5+2] Cycloaddition of Inverted 3-Acyloxy-1,4-enyne and Alkyne: Experimental and Theoretical Studies

Xiaoxun Li, Wangze Song, Xiaona Ke, Xiufang Xu, Peng Liu, K. N. Houk, Xian-liang Zhao, Weiping Tang

Chemistry – A European Journal, vol. 22, 2016, pp. 7079-7083

65. Rhodium(I)-Catalyzed Benzannulation of Heteroaryl Propargylic Esters: Synthesis of Indoles and Related Heterocycles

Xiaoxun Li, Haibo Xie, Xiaoning Fu, Ji-tian Liu, Hao-yuan Wang, Bao-min Xi, Peng Liu, Xiufang Xu, Weiping Tang

Chemistry – A European Journal, vol. 22, 2016, pp. 10410-10414

67. Copper-catalyzed asymmetric addition of olefin-derived nucleophiles to ketones

Yang Yang, Ian B. Perry, Gang Lu, Peng Liu, Stephen L. Buchwald

Science, vol. 353, 2016, pp. 144-150

Photoredox-mediated Minisci C–H alkylation of N-heteroarenes using boronic acids and hypervalent iodine

Guo-Xing Li, Christian A. Morales-Rivera, Yaxin Wang, Fang Gao, Gang He, Peng Liu, Gong Chen

Chem. Sci., vol. 7(10), The Royal Society of Chemistry, 2016, pp. 6407-6412

Probing Stereoselectivity in Ring-Opening Metathesis Polymerization Mediated by Cyclometalated Ruthenium-Based Catalysts: A Combined Experimental and Computational Study

L. E. Rosebrugh, T. S. Ahmed, V. M. Marx, J. Hartung, P. Liu, J. G. López, K. N. Houk, R. H. Grubbs

Journal of the American Chemical Society, vol. 138, 2016, pp. 1394-1405

68. Benzazetidine synthesis via palladium-catalysed intramolecular C−H amination

Gang He, Gang Lu, Zhengwei Guo, Peng Liu, Gong Chen

Nature Chemistry, vol. 8, 2016 Dec 1, pp. 1131-1136

69. Catalytic activation of carbon--carbon bonds in cyclopentanones

Ying Xia, Gang Lu, Peng Liu, Guangbin Dong

Nature, vol. 539, 2016 Nov 1, pp. 546-550

55. Mechanism and Origins of Selectivities in the Copper-Catalyzed Dearomatization-Induced ortho C–H Cyanation of Vinylarenes

Yang Yang, Peng Liu

ACS Catalysis, vol. 5, 2015, pp. 2944-2951

56. Origins of Initiation Rate Differences in Ruthenium Olefin Metathesis Catalysts Containing Chelating Benzylidenes

Keary M. Engle, Gang Lu, Shao-Xiong Lennon Luo, Lawrence M. Henling, Michael K. Takase, Peng Liu, K. N. Houk, Robert H. Grubbs

Journal of the American Chemical Society, vol. 137, 2015, pp. 5782-5792

57. Computational Study of Rh-Catalyzed Carboacylation of Olefins: Ligand-Promoted Rhodacycle Isomerization Enables Regioselective C–C Bond Functionalization of Benzocyclobutenones

Gang Lu, Cheng Fang, Tao Xu, Guangbin Dong, Peng Liu

Journal of the American Chemical Society, vol. 137, 2015, pp. 8274-8283

58. Catalytic asymmetric hydroamination of unactivated internal olefins to aliphatic amines

Yang Yang, Shi-Liang Shi, Dawen Niu, Peng Liu, Stephen L. Buchwald

Science, vol. 349, 2015, pp. 62-66

59. Reductive Lithiation in the Absence of Aromatic Electron Carriers. A Steric Effect Manifested on the Surface of Lithium Metal Leads to a Difference in Relative Reactivity Depending on Whether the Aromatic Electron Carrier Is Present or Absent

Nicole Kennedy, Gang Lu, Peng Liu, Theodore Cohen

The Journal of Organic Chemistry, vol. 80, 2015, pp. 8571-8582

Computational Studies of Ruthenium-Catalyzed Olefin Metathesis

Peng Liu, Buck L. H. Taylor, Jesus Garcia-Lopez, Kendall N. Houk

Handbook of Metathesis, chapter 7, John Wiley & Sons, Ltd, 2015, pp. 199-252

Conversion of amides to esters by the nickel-catalysed activation of amide C–N bonds

Liana Hie, Noah F. Fine Nathel, Tejas K. Shah, Emma L. Baker, Xin Hong, Yun-Fang Yang, Peng Liu, K. N. Houk, Neil K. Garg

Nature, vol. 524, 2015, pp. 79-83

Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups

Myles B. Herbert, Benjamin A. Suslick, Peng Liu, Lufeng Zou, Peter K. Dornan, K. N. Houk, Robert H. Grubbs

Organometallics, vol. 34, 2015, pp. 2858-2869

Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates

Scott E. Denmark, Wen-Tau T. Chang, K. N. Houk, Peng Liu

The Journal of Organic Chemistry, vol. 80, 2015, pp. 313-366

Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations

Alison R. H. Narayan, Gonzalo Jiménez-Osés, Peng Liu, Solymar Negretti, Wanxiang Zhao, Michael M. Gilbert, Raghunath O. Ramabhadran, Yun-Fang Yang, Lawrence R. Furan, Zhe Li, Larissa M. Podust, John Montgomery, K. N. Houk, David H. Sherman

Nature Chemsirty, vol. 7, 2015, pp. 653-660

Mechanistic Basis for Regioselection and Regiodivergence in Nickel-Catalyzed Reductive Couplings

Evan P. Jackson, Hasnain A. Malik, Grant J. Sormunen, Ryan D. Baxter, Peng Liu, Hengbin Wang, Abdur-Rafay Shareef, John Montgomery

Accounts of Chemical Research, vol. 48, 2015, pp. 1736-1745

N-Type Conjugated Polymer-Enabled Selective Dispersion of Semiconducting Carbon Nanotubes for Flexible CMOS-Like Circuits

Huiliang Wang, Yaoxuan Li, Gonzalo Jiménez-Osés, Peng Liu, Ya Fang, Jie Zhang, Ying-Chih Lai, Steve Park, Liwei Chen, Kendall N. Houk, Zhenan Bao

Advanced Functional Materials, vol. 25, 2015, pp. 1837-1844

Solvent Effects on Polymer Sorting of Carbon Nanotubes with Applications in Printed Electronics

Huiliang Wang, Bing Hsieh, Gonzalo Jiménez-Osés, Peng Liu, Christopher J. Tassone, Ying Diao, Ting Lei, Kendall N. Houk, Zhenan Bao

Small, vol. 11, 2015, pp. 126-133

Carboxylate-Assisted C(sp3)–H Activation in Olefin Metathesis-Relevant Ruthenium Complexes

Jeffrey S. Cannon, Lufeng Zou, Peng Liu, Yu Lan, Daniel J. O’Leary, K. N. Houk, Robert H. Grubbs

Journal of the American Chemical Society, vol. 136, 2014, pp. 6733-6743

Competition Between Concerted and Stepwise Dynamics in the Triplet Di-π-Methane Rearrangement

Gonzalo Jiménez-Osés, Peng Liu, Ricardo A. Matute, Kendall N. Houk

Angewandte Chemie International Edition, vol. 53, 2014, pp. 8664-8667

Dimer Involvement and Origin of Crossover in Nickel-Catalyzed Aldehyde–Alkyne Reductive Couplings

M. Taylor II Haynes, Peng Liu, Ryan D. Baxter, Alex J. Nett, K. N. Houk, John Montgomery

Journal of the American Chemical Society, vol. 136, 2014, pp. 17495-17504

Distortion/Interaction Analysis Reveals the Origins of Selectivities in Iridium-Catalyzed C–H Borylation of Substituted Arenes and 5-Membered Heterocycles

Aaron G. Green, Peng Liu, Craig A. Merlic, K. N. Houk

Journal of the American Chemical Society, vol. 136, 2014, pp. 4575-4583

High-Yield Sorting of Small-Diameter Carbon Nanotubes for Solar Cells and Transistors

Huiliang Wang, Ghada I. Koleilat, Peng Liu, Gonzalo Jiménez-Osés, Ying-Chih Lai, Michael Vosgueritchian, Ya Fang, Steve Park, Kendall N. Houk, Zhenan Bao

ACS Nano, vol. 8, 2014, pp. 2609-2617

Palladium-Catalyzed Meta-Selective C–H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity

Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen, Xinhao Zhang, Jin-Quan Yu, Yun-Dong Wu, K. N. Houk

Journal of the American Chemical Society, vol. 136, 2014, pp. 344-355

Reactivity and Chemoselectivity of Allenes in Rh(I)-Catalyzed Intermolecular (5 + 2) Cycloadditions with Vinylcyclopropanes: Allene-Mediated Rhodacycle Formation Can Poison Rh(I)-Catalyzed Cycloadditions

Xin Hong, Matthew C. Stevens, Peng Liu, Paul A. Wender, K. N. Houk

Journal of the American Chemical Society, vol. 136, 2014, pp. 17273-17283

Regioselectivity in the Cu(I)-Catalyzed [4 + 2]-Cycloaddition of 2-Nitrosopyridine with Unsymmetrical Dienes

Anh T. Tran, Peng Liu, K. N. Houk, Kenneth M. Nicholas

The Journal of Organic Chemistry, vol. 79, 2014, pp. 5617-5626

Role of N-Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes

Gui-Juan Cheng, Yun-Fang Yang, Peng Liu, Ping Chen, Tian-Yu Sun, Gang Li, Xinhao Zhang, K. N. Houk, Jin-Quan Yu, Yun-Dong Wu

Journal of the American Chemical Society, vol. 136, 2014, pp. 894-897

54. Using Computational Chemistry to Understand & Discover Chemical Reactions

K. N. Houk, Peng Liu

Daedalus, vol. 143, 2014 Oct, pp. 49-66

Confined organization of fullerene units along high polymer chains

Lei Fang, Peng Liu, Benjamin R. Sveinbjornsson, Sule Atahan-Evrenk, Koen Vandewal, Sílvia Osuna, Gonzalo Jiménez-Osés, Supriya Shrestha, Gaurav Giri, Peng Wei, Alberto Salleo, Alán Aspuru-Guzik, Robert H. Grubbs, K. N. Houk, Zhenan Bao

J. Mater. Chem. C, vol. 1(36), The Royal Society of Chemistry, 2013, pp. 5747-5755

Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to β-Substituted Cyclic Enones: Insights from Computation and Experiment

Jeffrey C. Holder, Lufeng Zou, Alexander N. Marziale, Peng Liu, Yu Lan, Michele Gatti, Kotaro Kikushima, K. N. Houk, Brian M. Stoltz

Journal of the American Chemical Society, vol. 135, 2013, pp. 14996-15007

Mechanism and Origins of Ligand-Controlled Selectivities in [Ni(NHC)]-Catalyzed Intramolecular (5 + 2) Cycloadditions and Homo-Ene Reactions: A Theoretical Study

Xin Hong, Peng Liu, K. N. Houk

Journal of the American Chemical Society, vol. 135, 2013, pp. 1456-1462

Mechanism of Sulfite-Driven, MeReO3-Catalyzed Deoxydehydration of Glycols

Peng Liu, Kenneth M. Nicholas

Organometallics, vol. 32, 2013, pp. 1821-1831

Rh-Catalyzed (5+2) Cycloadditions of 3-Acyloxy-1,4-enynes and Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity

Xiufang Xu, Peng Liu, Xing-zhong Shu, Weiping Tang, K. N. Houk

Journal of the American Chemical Society, vol. 135, 2013, pp. 9271-9274

Scalable and Selective Dispersion of Semiconducting Arc-Discharged Carbon Nanotubes by Dithiafulvalene/Thiophene Copolymers for Thin Film Transistors

Huiliang Wang, Jianguo Mei, Peng Liu, Kristin Schmidt, Gonzalo Jiménez-Osés, Sílvia Osuna, Lei Fang, Christopher J. Tassone, Arjan Pieter Zoombelt, Anatoliy N. Sokolov, Kendall N. Houk, Michael F. Toney, Zhenan Bao

ACS Nano, vol. 7, 2013, pp. 2659-2668

Z-Selective Ethenolysis with a Ruthenium Metathesis Catalyst: Experiment and Theory

Hiroshi Miyazaki, Myles B. Herbert, Peng Liu, Xiaofei Dong, Xiufang Xu, Benjamin K. Keitz, Thay Ung, Garik Mkrtumyan, K. N. Houk, Robert H. Grubbs

Journal of the American Chemical Society, vol. 135, 2013, pp. 5848-5858

Cafestol to Tricalysiolide B and Oxidized Analogues: Biosynthetic and Derivatization Studies Using Non-heme Iron Catalyst Fe(PDP)

Marinus A. Bigi, Peng Liu, Lufeng Zou, K. N. Houk, M. Christina

Synlett, vol. 23(19), 2012, pp. 2768–2772

Catalytic, Enantioselective N-Acylation of Lactams and Thiolactams Using Amidine-Based Catalysts

Xing Yang, Valentina D. Bumbu, Peng Liu, Ximin Li, Hui Jiang, Eric W. Uffman, Lei Guo, Wei Zhang, Xuntian Jiang, K. N. Houk, Vladimir B. Birman

Journal of the American Chemical Society, vol. 134, 2012, pp. 17605-17612

Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts

Myles B. Herbert, Yu Lan, Benjamin K. Keitz, Peng Liu, Koji Endo, Michael W. Day, K. N. Houk, Robert H. Grubbs

Journal of the American Chemical Society, vol. 134, 2012, pp. 7861-7866

Dynamics, transition states, and timing of bond formation in Diels–Alder reactions

Kersey Black, Peng Liu, Lai Xu, Charles Doubleday, Kendall N. Houk

Proceedings of the National Academy of Sciences of the United States of America, vol. 109(32), 2012, pp. 12860-12865

Ligand Effects on Rates and Regioselectivities of Rh(I)-Catalyzed (5 + 2) Cycloadditions: A Computational Study of Cyclooctadiene and Dinaphthocyclooctatetraene as Ligands

Xiufang Xu, Peng Liu, Adam Lesser, Lauren E. Sirois, Paul A. Wender, K. N. Houk

Journal of the American Chemical Society, vol. 134, 2012, pp. 11012-11025

Manifestation of Felkin–Anh Control in Enantioselective Acyl Transfer Catalysis: Kinetic Resolution of Carboxylic Acids

Xing Yang, Peng Liu, K. N. Houk, Vladimir B. Birman

Angewandte Chemie International Edition, vol. 51, 2012, pp. 9638-9642

Mechanism of the Cycloaddition of Carbon Dioxide and Epoxides Catalyzed by Cobalt-Substituted 12-Tungstenphosphate

Fawang Chen, Xiaofang Li, Bo Wang, Tiegang Xu, Shi-Lu Chen, Peng Liu, Changwen Hu

Chemistry – A European Journal, vol. 18, 2012, pp. 9870-9876

Origin of Enantioselectivity in Benzotetramisole-Catalyzed Dynamic Kinetic Resolution of Azlactones

Peng Liu, Xing Yang, Vladimir B. Birman, K. N. Houk

Organic Letters, vol. 14, 2012, pp. 3288-3291

Theoretical study of Pd(0)-catalyzed carbohalogenation of alkenes: mechanism and origins of reactivities and selectivities in alkyl halide reductive elimination from Pd(II) species

Yu Lan, Peng Liu, Stephen G. Newman, Mark Lautens, K. N. Houk

Chem. Sci., vol. 3(6), The Royal Society of Chemistry, 2012, pp. 1987-1995

Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C–H Bond Activation: Intermediate Characterization and Computational Studies

Ramesh Giri, Yu Lan, Peng Liu, K. N. Houk, Jin-Quan Yu

Journal of the American Chemical Society, vol. 134, 2012, pp. 14118-14126

Z-Selectivity in Olefin Metathesis with Chelated Ru Catalysts: Computational Studies of Mechanism and Selectivity

Peng Liu, Xiufang Xu, Xiaofei Dong, Benjamin K. Keitz, Myles B. Herbert, Robert H. Grubbs, K. N. Houk

Journal of the American Chemical Society, vol. 134, 2012, pp. 1464-1467

Ligand Steric Contours To Understand the Effects of N-Heterocyclic Carbene Ligands on the Reversal of Regioselectivity in Ni-Catalyzed Reductive Couplings of Alkynes and Aldehydes

Peng Liu, John Montgomery, K. N. Houk

Journal of the American Chemical Society, vol. 133, 2011, pp. 6956-6959

Mechanism and Origins of Regio- and Enantioselectivities in RhI-Catalyzed Hydrogenative Couplings of 1,3-Diynes and Activated Carbonyl Partners: Intervention of a Cumulene Intermediate

Peng Liu, Michael J. Krische, Kendall N. Houk

Chemistry – A European Journal, vol. 17, 2011, pp. 4021-4029

Nickel-catalyzed amination of aryl carbamates and sequential site-selective cross-couplings

Tehetena Mesganaw, Amanda L. Silberstein, Stephen D. Ramgren, Noah F. Fine Nathel, Xin Hong, Peng Liu, Neil K. Garg

Chem. Sci., vol. 2(9), The Royal Society of Chemistry, 2011, pp. 1766-1771

Suzuki−Miyaura Cross-Coupling of Aryl Carbamates and Sulfamates: Experimental and Computational Studies

Kyle W. Quasdorf, Aurora Antoft-Finch, Peng Liu, Amanda L. Silberstein, Anna Komaromi, Tom Blackburn, Stephen D. Ramgren, K. N. Houk, Victor Snieckus, Neil K. Garg

Journal of the American Chemical Society, vol. 133, 2011, pp. 6352-6363

Theoretical studies of regioselectivity of Ni- and Rh-catalyzed C–C bond forming reactions with unsymmetrical alkynes

Peng Liu, K.N. Houk

Inorganica Chimica Acta, vol. 369, 2011, pp. 2-14

Computational Explorations of Mechanisms and Ligand-Directed Selectivities of Copper-Catalyzed Ullmann-Type Reactions

Gavin O. Jones, Peng Liu, K. N. Houk, Stephen L. Buchwald

Journal of the American Chemical Society, vol. 132, 2010, pp. 6205-6213

Electronic and Steric Control of Regioselectivities in Rh(I)-Catalyzed (5 + 2) Cycloadditions: Experiment and Theory

Peng Liu, Lauren E. Sirois, Paul Ha-Yeon Cheong, Zhi-Xiang Yu, Ingo V. Hartung, Heiko Rieck, Paul A. Wender, K. N. Houk

Journal of the American Chemical Society, vol. 132, 2010, pp. 10127-10135

On the Mechanism of Ligand-Assisted, Copper-Catalyzed Benzylic Amination by Chloramine-T

Dipti N. Barman, Peng Liu, Kendall N. Houk, Kenneth M. Nicholas