Post-transition state bifurcations gain momentum–current state of the field SR Hare, DJ Tantillo Pure and Applied Chemistry 89 (6), 679-698, 2017 | 163 | 2017 |
Dynamic behavior of rearranging carbocations–implications for terpene biosynthesis SR Hare, DJ Tantillo Beilstein Journal of Organic Chemistry 12 (1), 377-390, 2016 | 84 | 2016 |
Cryptic post-transition state bifurcations that reduce the efficiency of lactone-forming Rh-carbenoid C–H insertions SR Hare, DJ Tantillo Chemical science 8 (2), 1442-1449, 2017 | 81 | 2017 |
Navigating past a fork in the road: carbocation− π interactions can manipulate dynamic behavior of reactions facing post-transition-state bifurcations SR Hare, RP Pemberton, DJ Tantillo Journal of the American Chemical Society 139 (22), 7485-7493, 2017 | 60 | 2017 |
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices SR Hare, LA Bratholm, DR Glowacki, BK Carpenter Chemical science 10 (43), 9954-9968, 2019 | 59 | 2019 |
Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions SR Hare, A Li, DJ Tantillo Chemical science 9 (48), 8937-8945, 2018 | 59 | 2018 |
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking HM Deeks, RK Walters, SR Hare, MB O’Connor, AJ Mulholland, ... Plos one 15 (3), e0228461, 2020 | 38 | 2020 |
Rearrangement of hydroxylated pinene derivatives to fenchone-type frameworks: computational evidence for dynamically-controlled selectivity M Blümel, S Nagasawa, K Blackford, SR Hare, DJ Tantillo, R Sarpong Journal of the American Chemical Society 140 (29), 9291-9298, 2018 | 29 | 2018 |
Computer-aided drug design for undergraduates DJ Tantillo, JB Siegel, CM Saunders, TA Palazzo, PP Painter, TE O’Brien, ... Journal of Chemical Education 96 (5), 920-925, 2019 | 26 | 2019 |
Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach NK Lim, P Weiss, BX Li, CH McCulley, SR Hare, BL Bensema, TA Palazzo, ... Organic letters 19 (22), 6212-6215, 2017 | 23 | 2017 |
C–H Insertion in dirhodium tetracarboxylate-catalyzed reactions despite dynamical tendencies toward fragmentation: implications for reaction efficiency and catalyst design W Guo, SR Hare, SS Chen, CM Saunders, DJ Tantillo Journal of the American Chemical Society 144 (37), 17219-17231, 2022 | 17 | 2022 |
Experimental and Computational Mechanistic Investigation of Chlorocarbene Additions to Bridgehead Carbene–Anti-Bredt Systems: Noradamantylcarbene–Adamantene and … SR Hare, M Orman, F Dewan, E Dalchand, C Buzard, S Ahmed, ... The Journal of Organic Chemistry 80 (10), 5049-5065, 2015 | 14 | 2015 |
Pericyclic or Pseudopericyclic? The Case of an Allylic Transposition in the Synthesis of a Saccharin Derivative SR Hare, DJ Tantillo Journal of chemical education 94 (8), 988-993, 2017 | 11 | 2017 |
Modeling organic reactions—general approaches, caveats, and concerns SR Hare, BM Hudson, DJ Tantillo Applied Theoretical Organic Chemistry, 1-29, 2018 | 8 | 2018 |
Putative biosynthetic cycloadditions en route to the diterpenoid (+)-chatancin SR Hare, JM Farnham, DJ Tantillo Tetrahedron 73 (29), 4227-4232, 2017 | 8 | 2017 |
Elucidating the role of catalytic amino acid residues in the peptide-mediated silica oligomerization reaction mechanism SR Hare, J Pfaendtner Physical Chemistry Chemical Physics 24 (6), 3664-3674, 2022 | 4 | 2022 |
Correction to “Post-transition state bifurcations gain momentum–current state of the field” SR Hare, DJ Tantillo Pure and Applied Chemistry 91 (1), 159-159, 2019 | 1 | 2019 |
CH Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions despite Dynamical Tendencies toward Fragmentation: Implications for Reaction Efficiency and Catalyst Design (vol … W Guo, SR Hare, SS Chen, CM Saunders, DJ Tantillo JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 (46), 25505-25508, 2023 | | 2023 |
Correction to “C–H Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions despite Dynamical Tendencies toward Fragmentation: Implications for Reaction Efficiency and … W Guo, SR Hare, SS Chen, CM Saunders, DJ Tantillo Journal of the American Chemical Society 145 (46), 25505-25508, 2023 | | 2023 |
Barry Carpenter. Pioneering Physical Organic Chemist, Teacher, Mentor and Friend SR Hare, AR Pinhas, J Rehbein, DJ Tantillo, S Wiggins arXiv preprint arXiv:2209.00145, 2022 | | 2022 |