| Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction CR Baiz, B Błasiak, J Bredenbeck, M Cho, JH Choi, SA Corcelli, ... Chemical reviews 120 (15), 7152-7218, 2020 | 243 | 2020 |
| Melting of a β-hairpin peptide using isotope-edited 2D IR spectroscopy and simulations AW Smith, J Lessing, Z Ganim, CS Peng, A Tokmakoff, S Roy, ... The Journal of Physical Chemistry B 114 (34), 10913-10924, 2010 | 113 | 2010 |
| Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces S Roy, SM Gruenbaum, JL Skinner The Journal of Chemical Physics 141 (18), 2014 | 77 | 2014 |
| Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline S Roy, J Lessing, G Meisl, Z Ganim, A Tokmakoff, J Knoester, TLC Jansen The Journal of chemical physics 135 (23), 2011 | 71 | 2011 |
| Marcus theory of ion-pairing S Roy, MD Baer, CJ Mundy, GK Schenter Journal of chemical theory and computation 13 (8), 3470-3477, 2017 | 65 | 2017 |
| Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide J Lessing, S Roy, M Reppert, M Baer, D Marx, TLC Jansen, J Knoester, ... Journal of the American Chemical Society 134 (11), 5032-5035, 2012 | 61 | 2012 |
| Structural classification of the amide I sites of a β-hairpin with isotope label 2DIR spectroscopy S Roy, TLC Jansen, J Knoester Physical Chemistry Chemical Physics 12 (32), 9347-9357, 2010 | 56 | 2010 |
| Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2–KCl Mixtures F Wu, S Roy, AS Ivanov, SK Gill, M Topsakal, E Dooryhee, M Abeykoon, ... The journal of physical chemistry letters 10 (24), 7603-7610, 2019 | 55 | 2019 |
| Analysis of 2D CS spectra for systems with non-gaussian dynamics S Roy, MS Pshenichnikov, TLC Jansen The Journal of Physical Chemistry B 115 (18), 5431-5440, 2011 | 53 | 2011 |
| Reaction rate theory in coordination number space: An application to ion solvation S Roy, MD Baer, CJ Mundy, GK Schenter The Journal of Physical Chemistry C 120 (14), 7597-7605, 2016 | 45 | 2016 |
| Conformations and vibrational spectra of a model tripeptide: Change of secondary structure upon micro-solvation H Zhu, M Blom, I Compagnon, AM Rijs, S Roy, G Von Helden, B Schmidt Physical Chemistry Chemical Physics 12 (14), 3415-3425, 2010 | 42 | 2010 |
| Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl F Wu, S Sharma, S Roy, P Halstenberg, LC Gallington, SM Mahurin, S Dai, ... The Journal of Physical Chemistry B 124 (14), 2892-2899, 2020 | 41 | 2020 |
| Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces. II. Two-dimensional spectra S Roy, SM Gruenbaum, JL Skinner The Journal of Chemical Physics 141 (22), 2014 | 41 | 2014 |
| Water dynamics in gyroid phases of self-assembled gemini surfactants S Roy, D Skoff, DV Perroni, J Mondal, A Yethiraj, MK Mahanthappa, ... Journal of the American Chemical Society 138 (8), 2472-2475, 2016 | 39 | 2016 |
| Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations JK Carr, AV Zabuga, S Roy, TR Rizzo, JL Skinner The Journal of chemical physics 140 (22), 2014 | 31 | 2014 |
| Theoretical sum frequency generation spectroscopy of peptides JK Carr, L Wang, S Roy, JL Skinner The Journal of Physical Chemistry B 119 (29), 8969-8983, 2015 | 29 | 2015 |
| Connections between the Speciation and Solubility of Ni(II) and Co(II) in Molten ZnCl2 SK Gill, J Huang, J Mausz, R Gakhar, S Roy, F Vila, M Topsakal, ... The Journal of Physical Chemistry B 124 (7), 1253-1258, 2020 | 28 | 2020 |
| Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics S Roy, M Brehm, S Sharma, F Wu, DS Maltsev, P Halstenberg, ... The Journal of Physical Chemistry B 125 (22), 5971-5982, 2021 | 27 | 2021 |
| Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides H Wang, RS DeFever, Y Zhang, F Wu, S Roy, VS Bryantsev, CJ Margulis, ... The Journal of chemical physics 153 (21), 2020 | 27 | 2020 |
| Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective S Roy, F Wu, H Wang, AS Ivanov, S Sharma, P Halstenberg, SK Gill, ... Physical Chemistry Chemical Physics 22 (40), 22900-22917, 2020 | 27 | 2020 |
Vyacheslav BryantsevOak Ridge National LaboratoryVerified email at ornl.gov
