| De novo computational design of retro-aldol enzymes L Jiang, EA Althoff, FR Clemente, L Doyle, D Röthlisberger, A Zanghellini, ... science 319 (5868), 1387-1391, 2008 | 1427 | 2008 |
| Theory of asymmetric organocatalysis of aldol and related reactions: Rationalizations and predictions C Allemann, R Gordillo, FR Clemente, PHY Cheong, KN Houk Accounts of chemical research 37 (8), 558-569, 2004 | 588 | 2004 |
| Computational evidence for the enamine mechanism of intramolecular aldol reactions catalyzed by proline FR Clemente, KN Houk Angewandte Chemie 116 (43), 5890-5892, 2004 | 304 | 2004 |
| Sources of Error in DFT Computations of C C Bond Formation Thermochemistries: π→ σ Transformations and Error Cancellation by DFT Methods SN Pieniazek, FR Clemente, KN Houk Angewandte Chemie International Edition 47 (40), 7746-7749, 2008 | 212* | 2008 |
| Theoretical studies of stereoselectivities of intramolecular aldol cyclizations catalyzed by amino acids FR Clemente, KN Houk Journal of the American Chemical Society 127 (32), 11294-11302, 2005 | 153 | 2005 |
| Rate Limiting Step Precedes C− C Bond Formation in the Archetypical Proline-Catalyzed Intramolecular Aldol Reaction H Zhu, FR Clemente, KN Houk, MP Meyer Journal of the American Chemical Society 131 (5), 1632-1633, 2009 | 95 | 2009 |
| Hetero-Diels− Alder Reactions of Homochiral 1, 2-Diaza-1, 3-butadienes with Diethyl Azodicarboxylate under Microwave Irradiation. Theoretical Rationale of the Stereochemical … M Avalos, R Babiano, P Cintas, FR Clemente, JL Jiménez, JC Palacios, ... The Journal of Organic Chemistry 64 (17), 6297-6305, 1999 | 76 | 1999 |
| Quantum mechanical design of enzyme active sites X Zhang, J DeChancie, H Gunaydin, AB Chowdry, FR Clemente, ... The Journal of organic chemistry 73 (3), 889-899, 2008 | 64 | 2008 |
| The Role of Steric and Electronic Interactions in the Stereocontrol of the Asymmetric 1,3-Dipolar Reactions of 5-Ethoxy-3-p-(S)-tolylsulfinylfuran-2(5H)-ones with … JL García Ruano, A Fraile, G González, MR Martín, FR Clemente, ... The Journal of organic chemistry 68 (17), 6522-6534, 2003 | 51 | 2003 |
| Approaches to Open Fullerenes: A 1,2,3,4,5,6-Hexaadduct of C60 SC Chuang, FR Clemente, SI Khan, KN Houk, Y Rubin Organic letters 8 (20), 4525-4528, 2006 | 46 | 2006 |
| How similar are enzyme active site geometries derived from quantum mechanical theozymes to crystal structures of enzyme‐inhibitor complexes? Implications for enzyme design J DeChancie, FR Clemente, AJT Smith, H Gunaydin, YL Zhao, X Zhang, ... Protein Science 16 (9), 1851-1866, 2007 | 39 | 2007 |
| Diastereoselective cycloadditions of 1, 3-thiazolium-4-olates with chiral 1, 2-diaza-1, 3-butadienes M Avalos, R Babiano, P Cintas, FR Clemente, R Gordillo, JL Jiménez, ... The Journal of organic chemistry 65 (17), 5089-5097, 2000 | 39 | 2000 |
| Conformation of secondary amides. A predictive algorithm that correlates DFT-calculated structures and experimental proton chemical shifts M Avalos, R Babiano, JL Barneto, P Cintas, FR Clemente, JL Jiménez, ... The Journal of organic chemistry 68 (5), 1834-1842, 2003 | 26 | 2003 |
| Synergic effect of vicinal stereocenters in [3+ 2] cycloadditions of carbohydrate azadipolarophiles and mesoionic dipoles: Origin of diastereofacial selectivity M Avalos, R Babiano, P Cintas, FR Clemente, R Gordillo, JL Jiménez, ... The Journal of organic chemistry 66 (15), 5139-5145, 2001 | 25 | 2001 |
| Getting the most out of ONIOM: guidelines and pitfalls FR Clemente, T Vreven, MJ Frisch Quantum biochemistry, 61-83, 2010 | 24 | 2010 |
| Cyclic Vinyl p-Tolyl Sulfilimines as Chiral Dienophiles: Diels−Alder Reactions with Furan and Acyclic Dienes JL García Ruano, C Alemparte, FR Clemente, L Gonzalez Gutierrez, ... The Journal of organic chemistry 67 (9), 2919-2925, 2002 | 21 | 2002 |
| Experimental and theoretical insights regarding the cycloaddition reaction of carbohydrate-based 1, 2-diaza-1, 3-butadienes and acrylonitrile. A model case for the behavior of … M Avalos, R Babiano, P Cintas, FR Clemente, R Gordillo, JL Jiménez, ... The Journal of organic chemistry 67 (7), 2241-2251, 2002 | 19 | 2002 |
| The first density functional study on the [4+ 2]-cycloaddition reactions of 1, 2-diaza-1, 3-butadiene with alkenes M Avalos, R Babiano, FR Clemente, P Cintas, R Gordillo, JL Jiménez, ... The Journal of organic chemistry 65 (24), 8251-8259, 2000 | 18 | 2000 |
| 1, 3-Dipolar cycloaddition of 2-dialkylaminothioisomünchnones with aliphatic aldehydes: Synthesis of β-lactams and thiiranes, structure elucidation, and rationale for … M Avalos, R Babiano, P Cintas, FR Clemente, R Gordillo, JL Jiménez, ... The Journal of organic chemistry 68 (16), 6338-6348, 2003 | 12 | 2003 |
| Cyclic Vinyl p-Tolyl Sulfilimines as Chiral Dienophiles: Theoretical Study on the Stereoselectivity, Lewis Acid Catalysis, and Solvent Effects in Their Diels−Alder … JL García Ruano, FR Clemente, L González Gutiérrez, R Gordillo, ... The Journal of organic chemistry 67 (9), 2926-2933, 2002 | 10 | 2002 |
