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Santanu Roy
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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
2552020
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
1142010
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
782014
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
712011
Marcus theory of ion-pairing
S Roy, MD Baer, CJ Mundy, GK Schenter
Journal of chemical theory and computation 13 (8), 3470-3477, 2017
672017
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
612012
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
572019
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
572010
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
542011
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
452016
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
432020
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
422010
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
412014
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
392016
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
332021
A holistic approach for elucidating local structure, dynamics, and speciation in molten salts with high structural disorder
S Roy, Y Liu, M Topsakal, E Dias, R Gakhar, WC Phillips, JF Wishart, ...
Journal of the American Chemical Society 143 (37), 15298-15308, 2021
312021
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
312014
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
302020
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
302015
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
292020
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