| Dynamical steering and electronic excitation in NO scattering from a gold surface N Shenvi, S Roy, JC Tully Science 326 (5954), 829-832, 2009 | 257 | 2009 |
| Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping N Shenvi, S Roy, JC Tully The Journal of chemical physics 130 (17), 2009 | 223 | 2009 |
| Model Hamiltonian for the interaction of NO with the Au (111) surface S Roy, NA Shenvi, JC Tully The Journal of chemical physics 130 (17), 2009 | 85 | 2009 |
| Vibrational relaxation of NO on Au (111) via electron-hole pair generation N Shenvi, S Roy, P Parandekar, J Tully The Journal of chemical physics 125 (15), 2006 | 54 | 2006 |
| Catalysis by a zinc-porphyrin-based metal–organic framework: from theory to computational design S Roy, CB George, MA Ratner The Journal of Physical Chemistry C 116 (44), 23494-23502, 2012 | 37 | 2012 |
| Elucidation of the Reaction Mechanism of C2 + N1 Aziridination from Tetracarbene Iron Catalysts SB Isbill, PP Chandrachud, JL Kern, DM Jenkins, S Roy ACS catalysis 9 (7), 6223-6233, 2019 | 34 | 2019 |
| Catalytic aziridination with alcoholic substrates via a chromium tetracarbene catalyst CL Keller, JL Kern, BD Terry, S Roy, DM Jenkins Chemical Communications 54 (12), 1429-1432, 2018 | 29 | 2018 |
| Dynamics of open-shell species at metal surfaces S Roy, N Shenvi, JC Tully The Journal of Physical Chemistry C 113 (37), 16311-16320, 2009 | 28 | 2009 |
| Chemistry at molecular junctions: Rotation and dissociation of O2 on the Ag (110) surface induced by a scanning tunneling microscope S Roy, V Mujica, MA Ratner The Journal of Chemical Physics 139 (7), 2013 | 24 | 2013 |
| Redox potential as a predictor of polyethylene branching using nickel α-diimine catalysts AM Doerr, MR Curry, RC Chapleski, JM Burroughs, EK Lander, S Roy, ... ACS Catalysis 12 (1), 73-81, 2021 | 23 | 2021 |
| A mechanistic study of microstructure modulation in olefin polymerizations using a redox-active Ni (II) α-diimine catalyst RC Chapleski, JL Kern, WC Anderson, BK Long, S Roy Catalysis Science & Technology 10 (7), 2029-2039, 2020 | 19 | 2020 |
| Melting of 55-atom Morse clusters P Shah, S Roy, C Chakravarty The Journal of chemical physics 118 (23), 10671-10682, 2003 | 19 | 2003 |
| Accommodation of gases at rough surfaces N Mateljevic, J Kerwin, S Roy, JR Schmidt, JC Tully The Journal of Physical Chemistry C 113 (6), 2360-2367, 2009 | 18 | 2009 |
| Toward asymmetric aziridination with an iron complex supported by a D 2-symmetric tetra-NHC KM Blatchford, CJ Mize, S Roy, DM Jenkins Dalton Transactions 51 (16), 6153-6156, 2022 | 16 | 2022 |
| Insight into subsurface adsorption derived from a lattice-gas model and monte carlo simulations CJ Mize, LD Crosby, SB Isbill, S Roy The Journal of Physical Chemistry C 126 (11), 5343-5353, 2022 | 5 | 2022 |
| Interfacial acidity on the strontium titanate surface: a scaling paradigm and the role of the hydrogen bond RC Chapleski, AU Chowdhury, KR Mason, RL Sacci, B Doughty, S Roy Physical Chemistry Chemical Physics 23 (41), 23478-23485, 2021 | 5 | 2021 |
| Structure of oxidised silver (1 1 1) and (1 1 0) surfaces SB Isbill, S Roy, DJ Keffer Molecular Simulation 43 (5-6), 355-369, 2017 | 5 | 2017 |
| Correction: Interfacial acidity on the strontium titanate surface: a scaling paradigm and the role of the hydrogen bond RC Chapleski, AU Chowdhury, KR Mason, RL Sacci, B Doughty, S Roy Physical Chemistry Chemical Physics 24 (2), 1202-1202, 2022 | | 2022 |
