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Stephanie Hare
Stephanie Hare
Verified email at deshawresearch.com
Title
Cited by
Cited by
Year
Post-transition state bifurcations gain momentum–current state of the field
SR Hare, DJ Tantillo
Pure and Applied Chemistry 89 (6), 679-698, 2017
1532017
Dynamic behavior of rearranging carbocations–implications for terpene biosynthesis
SR Hare, DJ Tantillo
Beilstein journal of organic chemistry 12 (1), 377-390, 2016
832016
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
772017
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
582017
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
562019
Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions
SR Hare, A Li, DJ Tantillo
Chemical science 9 (48), 8937-8945, 2018
542018
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
382020
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
262018
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
252019
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
232017
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
132022
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
132015
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
112017
Modeling organic reactions—general approaches, caveats, and concerns
SR Hare, BM Hudson, DJ Tantillo
Applied Theoretical Organic Chemistry, 1-29, 2018
82018
Putative biosynthetic cycloadditions en route to the diterpenoid (+)-chatancin
SR Hare, JM Farnham, DJ Tantillo
Tetrahedron 73 (29), 4227-4232, 2017
82017
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
42022
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
12019
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
Computational Investigations of the Effect of Electrostatic Environment on Silica Self-Assembly
S Hare, J Pfaendtner
2020 Virtual AIChE Annual Meeting, 2020
2020
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