| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2409 | 2006 |
| A growing string method for determining transition states: Comparison to the nudged elastic band and string methods B Peters, A Heyden, AT Bell, A Chakraborty The Journal of chemical physics 120 (17), 7877-7886, 2004 | 309 | 2004 |
| Obtaining reaction coordinates by likelihood maximization B Peters, BL Trout The Journal of chemical physics 125 (5), 054108, 2006 | 274 | 2006 |
| Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5 A Heyden, B Peters, AT Bell, FJ Keil The Journal of Physical Chemistry B 109 (5), 1857-1873, 2005 | 181 | 2005 |
| Molecular-level origins of biomass recalcitrance: decrystallization free energies for four common cellulose polymorphs GT Beckham, JF Matthews, B Peters, YJ Bomble, ME Himmel, ... The Journal of Physical Chemistry B 115 (14), 4118-4127, 2011 | 174 | 2011 |
| Strictosidine synthase: Mechanism of a pictet− spengler catalyzing enzyme JJ Maresh, LA Giddings, A Friedrich, EA Loris, S Panjikar, BL Trout, ... Journal of the American Chemical Society 130 (2), 710-723, 2008 | 158 | 2008 |
| Homogeneous nucleation of methane hydrates: Unrealistic under realistic conditions BC Knott, V Molinero, MF Doherty, B Peters Journal of the American Chemical Society 134 (48), 19544-19547, 2012 | 135 | 2012 |
| Extensions to the likelihood maximization approach for finding reaction coordinates B Peters, GT Beckham, BL Trout The Journal of chemical physics 127 (3), 034109, 2007 | 131 | 2007 |
| Path sampling calculation of methane diffusivity in natural gas hydrates from a water-vacancy assisted mechanism B Peters, NER Zimmermann, GT Beckham, JW Tester, BL Trout Journal of the American Chemical Society 130 (51), 17342-17350, 2008 | 101 | 2008 |
| Role of stacking disorder in ice nucleation L Lupi, A Hudait, B Peters, M Grünwald, RG Mullen, AH Nguyen, ... Nature 551 (7679), 218, 2017 | 81 | 2017 |
| Advances in methods and algorithms in a modern quantum chemistry program package JM Herbert, C Yeh Lin, T Van Voorhis, S Hung Chien, A Sodt, RP Steele, ... Phys. Chem. Chem. Phys 8, 3172, 2006 | 81 | 2006 |
| Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates NER Zimmermann, B Vorselaars, D Quigley, B Peters Journal of the American Chemical Society 137 (41), 13352-13361, 2015 | 77 | 2015 |
| Asparagine deamidation: pH-dependent mechanism from density functional theory B Peters, BL Trout Biochemistry 45 (16), 5384-5392, 2006 | 72 | 2006 |
| Surface-mediated nucleation in the solid-state polymorph transformation of terephthalic acid GT Beckham, B Peters, C Starbuck, N Variankaval, BL Trout Journal of the American Chemical Society 129 (15), 4714-4723, 2007 | 70 | 2007 |
| Using the histogram test to quantify reaction coordinate error B Peters The Journal of chemical physics 125 (24), 241101, 2006 | 66 | 2006 |
| Reaction rate theory and rare events B Peters Elsevier, 2017 | 64 | 2017 |
| Methane clathrate hydrate nucleation mechanism by advanced molecular simulations M Lauricella, S Meloni, NJ English, B Peters, G Ciccotti The Journal of Physical Chemistry C 118 (40), 22847-22857, 2014 | 61 | 2014 |
| Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation RG Mullen, JE Shea, B Peters Journal of chemical theory and computation 10 (2), 659-667, 2014 | 59 | 2014 |
| Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency B Peters, PG Bolhuis, RG Mullen, JE Shea The Journal of chemical physics 138 (5), 054106, 2013 | 55 | 2013 |
| Reaction coordinates and mechanistic hypothesis tests B Peters Annual review of physical chemistry 67, 669-690, 2016 | 54 | 2016 |
