| Handbook of Metathesis, Volume 2: Applications in Organic Synthesis RH Grubbs, DJ O'Leary John Wiley & Sons, 2015 | 2624 | 2015 |
| Kemp elimination catalysts by computational enzyme design D Röthlisberger, O Khersonsky, AM Wollacott, L Jiang, J DeChancie, ... Nature 453 (7192), 190-195, 2008 | 1586 | 2008 |
| De novo computational design of retro-aldol enzymes L Jiang, EA Althoff, FR Clemente, L Doyle, D Rothlisberger, A Zanghellini, ... science 319 (5868), 1387-1391, 2008 | 1456 | 2008 |
| Analyzing reaction rates with the distortion/interaction‐activation strain model FM Bickelhaupt, KN Houk Angewandte Chemie International Edition 56 (34), 10070-10086, 2017 | 1355 | 2017 |
| Frontier molecular orbital theory of cycloaddition reactions KN Houk Accounts of Chemical Research 8 (11), 361-369, 1975 | 1180 | 1975 |
| Origin of reactivity, regioselectivity, and periselectivity in 1, 3-dipolar cycloadditions KN Houk, J Sims, CR Watts, LJ Luskus Journal of the American Chemical Society 95 (22), 7301-7315, 1973 | 1175 | 1973 |
| Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction JB Siegel, A Zanghellini, HM Lovick, G Kiss, AR Lambert, JL St. Clair, ... Science 329 (5989), 309-313, 2010 | 1163 | 2010 |
| Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics R Wang, J Xue, KL Wang, ZK Wang, Y Luo, D Fenning, G Xu, S Nuryyeva, ... Science 366 (6472), 1509-1513, 2019 | 1060 | 2019 |
| Frontier molecular orbitals of 1, 3 dipoles and dipolarophiles KN Houk, J Sims, RE Duke, RW Strozier, JK George Journal of the American Chemical Society 95 (22), 7287-7301, 1973 | 879 | 1973 |
| Pericyclic reaction transition states: passions and punctilios, 1935-1995 KN Houk, J Gonzalez, Y Li Accounts of Chemical Research 28 (2), 81-90, 1995 | 872 | 1995 |
| Oligoacenes: theoretical prediction of open-shell singlet diradical ground states M Bendikov, HM Duong, K Starkey, KN Houk, EA Carter, F Wudl Journal of the American Chemical Society 126 (24), 7416-7417, 2004 | 802 | 2004 |
| Transition structures of hydrocarbon pericyclic reactions KN Houk, Y Li, JD Evanseck Angewandte Chemie International Edition in English 31 (6), 682-708, 1992 | 780 | 1992 |
| Force-field model for intramolecular radical additions DC Spellmeyer, KN Houk The Journal of Organic Chemistry 52 (6), 959-974, 1987 | 754 | 1987 |
| Conformations of cycloheptadecane. A comparison of methods for conformational searching M Saunders, KN Houk, YD Wu, WC Still, M Lipton, G Chang, WC Guida Journal of the American Chemical Society 112 (4), 1419-1427, 1990 | 736 | 1990 |
| Free radical biology and medicine: it's a gas, man! WA Pryor, KN Houk, CS Foote, JM Fukuto, LJ Ignarro, GL Squadrito, ... American Journal of Physiology-Regulatory, Integrative and Comparative …, 2006 | 665 | 2006 |
| Density functional theory prediction of the relative energies and isotope effects for the concerted and stepwise mechanisms of the Diels− Alder reaction of butadiene and ethylene E Goldstein, B Beno, KN Houk Journal of the American Chemical Society 118 (25), 6036-6043, 1996 | 635 | 1996 |
| A hierarchy of homodesmotic reactions for thermochemistry SE Wheeler, KN Houk, PR Schleyer, WD Allen Journal of the American Chemical Society 131 (7), 2547-2560, 2009 | 610 | 2009 |
| Conversion of amides to esters by the nickel-catalysed activation of amide C–N bonds L Hie, NF Fine Nathel, TK Shah, EL Baker, X Hong, YF Yang, P Liu, ... Nature 524 (7563), 79-83, 2015 | 528 | 2015 |
| Generalized frontier orbitals of alkenes and dienes. Regioselectivity in Diels-Alder reactions KN Houk Journal of the American Chemical Society 95 (12), 4092-4094, 1973 | 477 | 1973 |
| Computational redesign of a PETase for plastic biodegradation under ambient condition by the GRAPE strategy Y Cui, Y Chen, X Liu, S Dong, Y Tian, Y Qiao, R Mitra, J Han, C Li, X Han, ... Acs Catalysis 11 (3), 1340-1350, 2021 | 448 | 2021 |
