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Dimethyl Sulfoxide (DMSO) Interactions with Water, Organic Solvents, and Biomolecules: A Molecular Perspective

The Pharmaceutical Applications of Dimethyl Sulfoxide (AAPS Advances in the Pharmaceutical Sciences Series, vol. 30) Springer, Cham

DOI: 10.1007/978-3-032-19256-1_2

Publisher

Two-Dimensional Infrared Spectroscopy in Complex Environments

Chemical Reviews American Chemical Society

Electrolyte Swelling Dynamics on Polymer Separator Membrane Revealed by ATR-FTIR, 2D-correlation Spectroscopy and Quantum Chemical Calculations

Manuscript in preparation

Battery Separators as Active Regulators of Ion Solvation and Transport

Manuscript in preparation

Cosolvents Disrupt Water H-bond Networks at Electrode Interfaces: a Surface-enhanced 2D IR Study

ChemRxiv

DOI: 10.26434/chemrxiv-2025-4jhpf

PDF 1.5 MB Publisher

Plasmon-Accelerated Structural Dynamics, Vibrational Coherence, and Energy Transport in Amorphous Poly(methyl methacrylate) Coupled to a Lossy Plasmonic Cavity

Manuscript under review

Machine learning potentials accurately reproduce vibrational dynamics in complex environments

The Journal of Chemical Physics AIP Publishing

Vol. 163 · Issue 23 · Article 234116

DOI: 10.1063/5.0306072

PDF 6.2 MB Publisher

Tuning Hydrogen Bond Networks at Gold Electrodes: A Study of Potential-Dependent DMSO−Water Interfaces

ACS Electrochemistry American Chemical Society

Vol. 1 · Issue 5 · pp. 709–717

DOI: 10.1021/acselectrochem.4c00175

PDF 2.2 MB Publisher

Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion

The Journal of Chemical Physics AIP Publishing

Vol. 161 · Issue 21 · Article 214112

DOI: 10.1063/5.0239896

PDF 5.9 MB Publisher Preprint

Revisiting the Ultrafast IR Spectroscopic Study of Free Volume Elements in Polymers: The Role of Probe Molecule's Internal Rotational Fluctuation in Anisotropy Decays

ChemRxiv

DOI: 10.26434/chemrxiv-2023-q76kp

PDF 9.7 MB Publisher

Construction of N-rich Aminal-Linked Porous Organic Polymers for Outstanding Precombustion CO2 Capture and H2 Purification: A Combined Experimental and Theoretical Study

ACS Applied Materials & Interfaces American Chemical Society

Vol. 15 · Issue 41 · pp. 48326–48335

DOI: 10.1021/acsami.3c11732

PDF 8.1 MB Publisher

Charge-Shifted Weak Noncovalent Interactions in the Atmospherically Important OCS Microhydrates

The Journal of Physical Chemistry A American Chemical Society

Vol. 127 · Issue 15 · pp. 3293–3304

DOI: 10.1021/acs.jpca.2c07670

PDF 6.1 MB Publisher

Dual active sites in a triazine-based covalent organic polymeric framework promoting oxygen reduction reaction

Chemical Communications Royal Society of Chemistry

Vol. 58 · pp. 5506–5509

DOI: 10.1039/D2CC00865C

PDF 3.0 MB Publisher

Solvation structure of phosphonium ionic liquid/CH3SCN mixture as electrolytes for Li-ion batteries: Infrared pump-probe spectroscopic studies

Bulletin of the Korean Chemical Society Korean Chemical Society / Wiley

Vol. 43 · Issue 2 · pp. 215–221

DOI: 10.1002/bkcs.12463

PDF 1.3 MB Publisher

Adsorbed Water Structure on Acrylate-Based Biocompatible Polymer Surface

The Journal of Physical Chemistry Letters American Chemical Society

Vol. 12 · Issue 38 · pp. 9275–9282

DOI: 10.1021/acs.jpclett.1c02491

PDF 3.1 MB Publisher

Sulfur-containing nitrogen-rich robust hierarchically porous organic polymer for adsorptive removal of mercury: experimental and theoretical insights

Environmental Science: Nano Royal Society of Chemistry

Vol. 8 · pp. 2641–2649

DOI: 10.1039/D1EN00448D

PDF 2.9 MB Publisher

Metal-Free Pyrene-Based Conjugated Microporous Polymer Catalyst Bearing N- and S-Sites for Photoelectrochemical Oxygen Evolution Reaction

Frontiers in Chemistry Frontiers Media

Vol. 9 · Article 803860

DOI: 10.3389/fchem.2021.803860

PDF 2.1 MB Publisher

Fluorine induced conformational switching and modulation in photophysical properties of 7-fluorotryptophan: Spectroscopic, quantum chemical calculation and molecular dynamics simulation studies

Journal of Photochemistry and Photobiology Elsevier

Vol. 3 · Article 100011

DOI: 10.1016/j.jpap.2020.100011

PDF 3.0 MB Publisher

Effect of isotope substitution on the Fermi resonance and vibrational lifetime of unnatural amino acids modified with IR probe: A 2D-IR and pump-probe study of 4-azido-L-phenyl alanine

The Journal of Chemical Physics AIP Publishing

Vol. 153 · Issue 16 · Article 164309

DOI: 10.1063/5.0025289

PDF 2.4 MB Publisher

Two-dimensional IR spectroscopy reveals a hidden Fermi resonance band in the azido stretch spectrum of β-azidoalanine

Physical Chemistry Chemical Physics Royal Society of Chemistry

Vol. 22 · Issue 34 · pp. 19223–19229

DOI: 10.1039/D0CP02693J

PDF 2.0 MB Publisher

Thiadiazole containing N- and S-rich highly ordered periodic mesoporous organosilica for efficient removal of Hg(ii) from polluted water

Chemical Communications Royal Society of Chemistry

Vol. 56 · Issue 28 · pp. 3963–3966

DOI: 10.1039/D0CC00407C

PDF 2.3 MB Publisher

Solvent organization around the noncanonical part of tyrosine modulates its fluorescence properties

Physical Chemistry Chemical Physics Royal Society of Chemistry

Vol. 21 · pp. 6042–6050

DOI: 10.1039/C8CP06410E

PDF 3.0 MB Publisher

Thioether-Functionalized Covalent Triazine Nanospheres: A Robust Adsorbent for Mercury Removal

ACS Sustainable Chemistry & Engineering American Chemical Society

Vol. 7 · Issue 7 · pp. 7353–7361

DOI: 10.1021/acssuschemeng.9b00567

PDF 2.7 MB Publisher

Understanding the Role of Hydrophobic Terminal in the Hydrogen Bond Network of the Aqueous Mixture of 2,2,2-Trifluoroethanol: IR, Molecular Dynamics, Quantum Chemical as Well as Atoms in Molecules Studies

The Journal of Physical Chemistry B American Chemical Society

Vol. 122 · Issue 25 · pp. 6616–6626

DOI: 10.1021/acs.jpcb.8b04365

PDF 3.1 MB Publisher

Role of Surface Phenolic-OH Groups in N-Rich Porous Organic Polymers for Enhancing the CO2 Uptake and CO2/N2 Selectivity: Experimental and Computational Studies

ACS Applied Materials & Interfaces American Chemical Society

Vol. 10 · Issue 28 · pp. 23813–23824

DOI: 10.1021/acsami.8b05849

PDF 6.1 MB Publisher

Role of Dispersive Fluorous Interaction in the Solvation Dynamics of the Perfluoro Group Containing Molecules

The Journal of Physical Chemistry B American Chemical Society

Vol. 121 · Issue 32 · pp. 7681–7688

DOI: 10.1021/acs.jpcb.7b03420

PDF 1.8 MB Publisher

Hydrophobic fluorine mediated switching of the hydrogen bonding site as well as orientation of water molecules in the aqueous mixture of monofluoroethanol: IR, molecular dynamics and quantum chemical studies

Physical Chemistry Chemical Physics Royal Society of Chemistry

Vol. 19 · Issue 36 · pp. 24667–24677

DOI: 10.1039/C7CP04663D

PDF 3.0 MB Publisher

A combined molecular dynamics simulation, atoms in molecule analysis and IR study on the biologically important bulk fluorinated ethanols to understand the role of weak interactions in their cluster formation and hydrogen bond network

Journal of Molecular Liquids Elsevier

Vol. 240 · pp. 708–716

DOI: 10.1016/j.molliq.2017.05.098

PDF 1.6 MB Publisher

Combined Molecular Dynamics, Atoms in Molecules, and IR Studies of the Bulk Monofluoroethanol and Bulk Ethanol To Understand the Role of Organic Fluorine in the Hydrogen Bond Network

The Journal of Physical Chemistry A American Chemical Society

Vol. 121 · Issue 6 · pp. 1250–1260

DOI: 10.1021/acs.jpca.6b12770

PDF 5.4 MB Publisher

Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents

The Journal of Chemical Physics AIP Publishing

Vol. 144 · Issue 18 · Article 184504

DOI: 10.1063/1.4948704

PDF 2.7 MB Publisher

Role of Hydrogen Bond in the Solvation Behavior of the Binary Mixtures Containing Fluorocarbon Alcohol Molecules and Chloroform: An Experimental and Theoretical Study

ChemistrySelect Wiley-VCH

Vol. 1 · Issue 18 · pp. 5607–5617

DOI: 10.1002/slct.201601118

PDF 1.9 MB Publisher

Theoretical Study on the Microhydration of Atmospherically Important Carbonyl Sulfide in Its Neutral and Anionic Forms: Bridging the Gap between the Bulk and Finite Size Microhydrated Cluster

The Journal of Physical Chemistry A American Chemical Society

Vol. 119 · Issue 15 · pp. 3644–3652

DOI: 10.1021/acs.jpca.5b01638

PDF 1.3 MB Publisher

Effect of microhydration on the atmospherically important metastable carbonyl sulfide anion: Structure, energetic, and infrared study

International Journal of Quantum Chemistry Wiley

Vol. 115 · Issue 12 · pp. 785–795

DOI: 10.1002/qua.24902

PDF 0.5 MB Publisher

Noble gas induced surprisingly higher stability of π hydrogen bonded complex: comparative study of hydrogen bonded complexes of HKrCCH and HCCH with H2O, NH3, CH3OH and CH3NH2

RSC Advances Royal Society of Chemistry

Vol. 4 · Issue 40 · pp. 20752–20760

DOI: 10.1039/C3RA47427E

PDF 0.3 MB Publisher