Hajime Hirao
Hajime Hirao
The Chinese University of Hong Kong, Shenzhen
Verified email at cuhk.edu.cn
Title
Cited by
Cited by
Year
Reactivity of high-valent iron–oxo species in enzymes and synthetic reagents: a tale of many states
S Shaik, H Hirao, D Kumar
Accounts of chemical research 40 (7), 532-542, 2007
4672007
Axial ligand tuning of a nonheme iron (IV)–oxo unit for hydrogen atom abstraction
CV Sastri, J Lee, K Oh, YJ Lee, J Lee, TA Jackson, K Ray, H Hirao, ...
Proceedings of the National Academy of Sciences 104 (49), 19181-19186, 2007
3562007
Two-state reactivity in alkane hydroxylation by non-heme iron− oxo complexes
H Hirao, D Kumar, L Que Jr, S Shaik
Journal of the American Chemical Society 128 (26), 8590-8606, 2006
3262006
Enhanced selectivity in mixed matrix membranes for CO 2 capture through efficient dispersion of amine-functionalized MOF nanoparticles
B Ghalei, K Sakurai, Y Kinoshita, K Wakimoto, AP Isfahani, Q Song, ...
Nature Energy 2 (7), 1-9, 2017
2382017
A Two‐State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme FeIVO Oxidants
H Hirao, L Que Jr, W Nam, S Shaik
Chemistry–A European Journal 14 (6), 1740-1756, 2008
1952008
Theoretical Investigation of C−H Hydroxylation by (N4Py)FeIVO2+:  An Oxidant More Powerful than P450?
D Kumar, H Hirao, L Que, S Shaik
Journal of the American Chemical Society 127 (22), 8026-8027, 2005
1722005
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450
H Hirao, D Kumar, W Thiel, S Shaik
Journal of the American Chemical Society 127 (37), 13007-13018, 2005
1622005
The ONIOM method: its foundation and applications to metalloenzymes and photobiology
LW Chung, H Hirao, X Li, K Morokuma
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 327-350, 2012
1492012
Metal‐Free σ‐Bond Metathesis in 1, 3, 2‐Diazaphospholene‐Catalyzed Hydroboration of Carbonyl Compounds
CC Chong, H Hirao, R Kinjo
Angewandte Chemie International Edition 54 (1), 190-194, 2015
1292015
To rebound or dissociate? This is the mechanistic question in C–H hydroxylation by heme and nonheme metal–oxo complexes
KB Cho, H Hirao, S Shaik, W Nam
Chemical Society Reviews 45 (5), 1197-1210, 2016
1232016
Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes
W Rao, MJ Koh, D Li, H Hirao, PWH Chan
Journal of the American Chemical Society 135 (21), 7926-7932, 2013
1192013
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
1172014
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
1012009
Palladium‐Catalyzed Asymmetric Reductive Heck Reaction of Aryl Halides
G Yue, K Lei, H Hirao, J Zhou
Angewandte Chemie 127 (22), 6631-6635, 2015
992015
Na, K-ATPase α3 is a death target of Alzheimer patient amyloid-β assembly
T Ohnishi, M Yanazawa, T Sasahara, Y Kitamura, H Hiroaki, Y Fukazawa, ...
Proceedings of the National Academy of Sciences 112 (32), E4465-E4474, 2015
942015
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
932014
Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum
S Shaik, H Hirao, D Kumar
Natural product reports 24 (3), 533-552, 2007
932007
Size-dependent catalytic activity of palladium nanoparticles fabricated in porous organic polymers for alkene hydrogenation at room temperature
J Mondal, QT Trinh, A Jana, WKH Ng, P Borah, H Hirao, Y Zhao
ACS applied materials & interfaces 8 (24), 15307-15319, 2016
822016
Nickel‐Catalyzed Asymmetric Transfer Hydrogenation of Hydrazones and Other Ketimines
H Xu, P Yang, P Chuanprasit, H Hirao, J Zhou
Angewandte Chemie 127 (17), 5201-5205, 2015
822015
Selective photocatalytic C–C bond cleavage under ambient conditions with earth abundant vanadium complexes
S Gazi, WKH Ng, R Ganguly, AMP Moeljadi, H Hirao, HS Soo
Chemical science 6 (12), 7130-7142, 2015
822015
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