| 1‐(2′‐Anilinyl) prop‐2‐yn‐1‐ol Rearrangement for Oxindole Synthesis P Kothandaraman, BQ Koh, T Limpanuparb, H Hirao, PWH Chan Chemistry–A European Journal 19 (6), 1978-1985, 2013 | 23 | 2013 |
| 4-Amino-2-cyanopyrimidines: Novel scaffold for nonpeptidic cathepsin S inhibitors O Irie, F Yokokawa, T Ehara, A Iwasaki, Y Iwaki, Y Hitomi, K Konishi, ... Bioorganic & medicinal chemistry letters 18 (16), 4642-4646, 2008 | 20 | 2008 |
| A Concerted Transfer Hydrogenolysis: 1, 3, 2‐Diazaphospholene‐Catalyzed Hydrogenation of N N Bond with Ammonia–Borane CC Chong, H Hirao, R Kinjo Angewandte Chemie International Edition 53 (13), 3342-3346, 2014 | 140 | 2014 |
| A general palladium‐catalyzed method for alkylation of heteroarenes using secondary and tertiary alkyl halides X Wu, JWT See, K Xu, H Hirao, J Roger, JC Hierso, J Zhou Angewandte Chemie International Edition 53 (49), 13573-13577, 2014 | 146 | 2014 |
| A reaction mode of carbene-catalysed aryl aldehyde activation and induced phenol OH functionalization X Chen, H Wang, K Doitomi, CY Ooi, P Zheng, W Liu, H Guo, S Yang, ... Nature communications 8 (1), 15598, 2017 | 59 | 2017 |
| A reactive bond orbital investigation of the Diels‐Alder reaction between 1, 3‐butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density … H Hirao Journal of computational chemistry 29 (9), 1399-1407, 2008 | 9 | 2008 |
| A total synthesis of (+)-negamycin through isoxazolidine allylation RW Bates, H Hirao, YS Tay, P Sae-Lao Organic & Biomolecular Chemistry 12 (27), 4879-4884, 2014 | 24 | 2014 |
| A Two‐State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in C H Bond Cleavage by Nonheme Oxoiron (IV) Complexes EJ Klinker, S Shaik, H Hirao, L Que Jr Angewandte Chemie International Edition 48 (7), 1291-1295, 2009 | 128 | 2009 |
| A Two‐State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme FeIVO Oxidants H Hirao, L Que Jr, W Nam, S Shaik Chemistry–A European Journal 14 (6), 1740-1756, 2008 | 233 | 2008 |
| Abnormal N-heterocyclic carbene gold (I) complexes: synthesis, structure, and catalysis in hydration of alkynes X Xu, SH Kim, X Zhang, AK Das, H Hirao, SH Hong Organometallics 32 (1), 164-171, 2013 | 81 | 2013 |
| Acceptorless and Base‐free Dehydrogenation of Cyanohydrin with (η6‐Arene)halide(Bidentate Phosphine)ruthenium(II) Complex K Kim, AMP Moeljadi, H Hirao, SH Hong Advanced Synthesis & Catalysis 359 (19), 3292-3298, 2017 | 4 | 2017 |
| Achieving vinylic selectivity in mizoroki–heck reaction of cyclic olefins X Wu, Y Lu, H Hirao, J Zhou Chemistry–A European Journal 19 (19), 6014-6020, 2013 | 25 | 2013 |
| Al2O3 Surface Complexation for Photocatalytic Organic Transformations WR Leow, WKH Ng, T Peng, X Liu, B Li, W Shi, Y Lum, X Wang, X Lang, ... Journal of the American Chemical Society 139 (1), 269-276, 2017 | 72 | 2017 |
| Alkane-length sorting using activated pillar [5] arene crystals T Ogoshi, R Sueto, Y Hamada, K Doitomi, H Hirao, Y Sakata, S Akine, ... Chemical Communications 53 (61), 8577-8580, 2017 | 45 | 2017 |
| Alkynone β-trifluoroborates: A new class of amine-specific biocompatible click reagents S Teng, EWH Ng, Z Zhang, CN Soon, H Xu, R Li, H Hirao, TP Loh Science Advances 9 (17), eadg4924, 2023 | 4 | 2023 |
| Ambiphilic boron in 1, 4, 2, 5-diazadiborinine B Wang, Y Li, R Ganguly, H Hirao, R Kinjo Nature communications 7 (1), 11871, 2016 | 88 | 2016 |
| An attempt to evaluate the effect of proton-coupled electron transfer on the H-abstraction step of the reaction between 1, 1-dimethylhydrazine and cytochrome P450 compound I H Hirao, P Chuanprasit Chemical Physics Letters 621, 188-192, 2015 | 12 | 2015 |
| An intramolecular photoswitch can significantly promote photoactivation of Pt (IV) prodrugs Z Deng, C Li, S Chen, Q Zhou, Z Xu, Z Wang, H Yao, H Hirao, G Zhu Chemical Science 12 (19), 6536-6542, 2021 | 36 | 2021 |
| Analytical hessian fitting schemes for efficient determination of force‐constant parameters in molecular mechanics R Wang, M Ozhgibesov, H Hirao Journal of Computational Chemistry 39 (6), 307-318, 2018 | 15 | 2018 |
| Applications of Computational Chemistry to Selected Problems of Transition-Metal Catalysis in Biological and Nonbiological Systems H Hirao Transition Metals in Coordination Environments: Computational Chemistry and …, 2019 | 2 | 2019 |
