| Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry MW Lodewyk, MR Siebert, DJ Tantillo Chemical Reviews 112 (3), 1839-1862, 2012 | 1277 | 2012 |
| Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment J Xie, R Sun, MR Siebert, R Otto, R Wester, WL Hase The Journal of Physical Chemistry A 117 (32), 7162-7178, 2013 | 90 | 2013 |
| Applied computational chemistry for the blind and visually impaired HB Wedler, SR Cohen, RL Davis, JG Harrison, MR Siebert, D Willenbring, ... Journal of Chemical Education 89 (11), 1400-1404, 2012 | 89 | 2012 |
| Differentiating mechanistic possibilities for the thermal, intramolecular [2+ 2] cycloaddition of Allene− Ynes MR Siebert, JM Osbourn, KM Brummond, DJ Tantillo Journal of the American Chemical Society 132 (34), 11952-11966, 2010 | 89 | 2010 |
| The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface MR Siebert, J Zhang, SV Addepalli, DJ Tantillo, WL Hase Journal of the American Chemical Society 133 (21), 8335-8343, 2011 | 83 | 2011 |
| Reaction dynamics of temperature-variable anion water clusters studied with crossed beams and by direct dynamics R Otto, J Xie, J Brox, S Trippel, M Stei, T Best, MR Siebert, WL Hase, ... Faraday discussions 157, 41-57, 2012 | 65 | 2012 |
| Evaluating the accuracy of Hessian approximations for direct dynamics simulations Y Zhuang, MR Siebert, WL Hase, KG Kay, M Ceotto Journal of chemical theory and computation 9 (1), 54-64, 2013 | 60 | 2013 |
| Transition-state complexation in palladium-promoted [3, 3] sigmatropic shifts MR Siebert, DJ Tantillo Journal of the American Chemical Society 129 (28), 8686-8687, 2007 | 58 | 2007 |
| Gas-phase chemical dynamics simulations on the bifurcating pathway of the pimaradienyl cation rearrangement: role of enzymatic steering in abietic acid biosynthesis MR Siebert, P Manikandan, R Sun, DJ Tantillo, WL Hase Journal of chemical theory and computation 8 (4), 1212-1222, 2012 | 48 | 2012 |
| Tetracoordinate carbon as a nucleophile? Interconversion of carbenium ions with carbonium ions possessing nearly square-pyramidal pentacoordinate carbons MR Siebert, DJ Tantillo The Journal of Organic Chemistry 71 (2), 645-654, 2006 | 25 | 2006 |
| Mechanism of Thiolate-Disulfide Exchange: Addition–Elimination or Effectively SN2? Effect of a Shallow Intermediate in Gas-Phase Direct Dynamics Simulations M Paranjothy, MR Siebert, WL Hase, SM Bachrach The Journal of Physical Chemistry A 116 (47), 11492-11499, 2012 | 18 | 2012 |
| Cycloaddition/Ring Opening Reaction Sequences of N-Alkenyl Aziridines: Influence of the Aziridine Nitrogen on Stereoselectivity MR Siebert, AK Yudin, DJ Tantillo Organic letters 10 (1), 57-60, 2008 | 18 | 2008 |
| Methyl linoleate and methyl oleate bond dissociation energies: electronic structure fishing for wise crack products ZR Wilson, MR Siebert Energy & Fuels 32 (2), 1779-1787, 2018 | 15 | 2018 |
| Direct dynamics simulation of the activation and dissociation of 1, 5-dinitrobiuret (HDNB) R Sun, MR Siebert, L Xu, SD Chambreau, GL Vaghjiani, H Lischka, J Liu, ... The Journal of Physical Chemistry A 118 (12), 2228-2236, 2014 | 15 | 2014 |
| Sandwich compounds of transition metals with cyclopolyenes and isolobal boron analogues TN Gribanova, AG Starikov, RM Minyaev, VI Minkin, MR Siebert, ... Chemistry–A European Journal 16 (7), 2272-2281, 2010 | 14 | 2010 |
| [3,3]-Sigmatropic Shifts of N-Allylhydrazones: Quantum Chemical Comparison of Concerted and Radical Cation Pathways MR Siebert, DJ Tantillo Organic letters 10 (15), 3219-3222, 2008 | 13 | 2008 |
| Brother versus brother: competitive stabilization of carbocationic centers by flanking cyclopropanes and π‐systems MR Siebert, DJ Tantillo Journal of Physical Organic Chemistry 20 (6), 384-394, 2007 | 11 | 2007 |
| Conjugate Addition/[3, 3] Sigmatropic Shift Processes for Formation of Medium-Ring Cyclic Amines–Do They Circumvent the Woodward–Hoffmann Rules? PP Painter, MR Siebert, DJ Tantillo The Journal of organic chemistry 80 (23), 11699-11705, 2015 | 10 | 2015 |
| One lump or two? A plurality of pathways in gold (III)-catalyzed cyclization transforming propargyl acetates to a carene-like bicyclo [4.1. 0] heptane JM Hines, JJ Eason, MR Siebert Organometallics 36 (4), 920-926, 2017 | 9 | 2017 |
| Boot camp to improve student perception and performance in sophomore organic chemistry? Hoorah! MR Siebert, TE Daniel, BD High Journal of Chemical Education 94 (12), 1860-1865, 2017 | 8 | 2017 |
