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List of works by Santanu Roy

Analysis of 2D CS spectra for systems with non-gaussian dynamics

scientific article published on 10 January 2011

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

scientific article

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides

scientific article published on 01 December 2020

Computer Simulation of Methanol Exchange Dynamics around Cations and Anions.

scientific article

Conformations and vibrational spectra of a model tripeptide: change of secondary structure upon micro-solvation

scientific article published in April 2010

Connections between the Speciation and Solubility of Ni(II) and Co(II) in Molten ZnCl2

scientific article published on 12 February 2020

Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCl Mixtures

scientific article published on 26 November 2019

Finding Order in the Disordered Hydration Shell of Rapidly Exchanging Water Molecules around the Heaviest Alkali Cs+ and Fr

scientific article published on 07 December 2018

Hydration structure and water exchange kinetics at xenotime-water interfaces: implications for rare earth minerals separation

scientific article published on 10 March 2020

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants.

scientific article

Influence of a Pre-organized N-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by an Aminopolycarboxylate Complexant

scientific article published on 21 January 2019

Marcus Theory of Ion-Pairing

scientific article

Melting of a beta-hairpin peptide using isotope-edited 2D IR spectroscopy and simulations.

scientific article published in September 2010

Mineral–Water Interface Structure of Xenotime (YPO4) {100}

scientific article

Observation of a promethium complex in solution

scientific article published on 22 May 2024

Reaction Rate Theory in Coordination Number Space: An Application to Ion Solvation

article published in 2016

Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline

scientific article published in December 2011

Structural classification of the amide I sites of a beta-hairpin with isotope label 2DIR spectroscopy

scientific article published on 01 July 2010

Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective

scientific article published on 26 August 2020

Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl

scientific article published on 30 March 2020

Theoretical Sum Frequency Generation Spectroscopy of Peptides.

scientific article

Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces.

scientific article

Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces. II. Two-dimensional spectra

scientific article published on 01 December 2014

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

scientific article published on 29 June 2020

Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants.

scientific article

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