Virtual Issue: Fundamental Water Chemistry - ACS Axial | ACS Publications

Virtual Issue: Fundamental Water Chemistry

This Virtual Issue on Chemistry and Water complements the theme of the Fall 2019 ACS National Meeting and Exposition in San Diego, CA. Water is the most common liquid on the planet and is essential to life. Despite water’s importance to us, its networked hydrogen-bonding structure gives it properties that are peculiar compared with most other liquids, and as a result, we are still pushing toward a molecular understanding of this most important of liquids.

The articles in this Virtual Issue report on some of the latest physical chemistry research on the properties and nature of liquid water. These papers span the gamut from spectroscopic studies of water motions around solutes or near interfaces to ab initio and other types of simulations aimed at uncovering a truly molecular understanding of water’s properties. Since water behaves differently near proteins, lipids, surfactants and even bare electrons, much of the 18 papers in this Virtual Issue focus on the behavior of water in these kinds of specific environments as well as in the neat fluid.

Water Structure at the Buried Silica/Aqueous Interface Studied by Heterodyne-Detected Vibrational Sum-Frequency Generation
J. Phys. Chem. C, 2016, 120 (17), pp 9357–9363
DOI: 10.1021/acs.jpcc.6b03275
Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering
J. Phys. Chem. B, 2016, 120 (6), pp 1158–1168
DOI: 10.1021/acs.jpcb.5b12471
Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects
J. Phys. Chem. Lett., 2017, 8 (7), pp 1545–1551
DOI: 10.1021/acs.jpclett.7b00391
Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study
J. Phys. Chem. B, 2016, 120 (30), pp 7456–7470
DOI: 10.1021/acs.jpcb.6b03876
Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics
J. Phys. Chem. B, 2016, 120 (16), pp 3785–3796
DOI: 10.1021/acs.jpcb.6b01012
Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water
J. Phys. Chem. B, 2016, 120 (48), pp 12358–12370
DOI: 10.1021/acs.jpcb.6b08205
Exploring Electrostatic Effects on the Hydrogen Bond Network of Liquid Water through Many-Body Molecular Dynamics
J. Phys. Chem. B, 2016, 120 (33), pp 8539–8546
DOI: 10.1021/acs.jpcb.6b02366
Anomalous Dynamics of Water Confined in Protein-Protein and Protein-DNA Interfaces
J. Phys. Chem. Lett., 2016, 7 (19), pp 3967–3972
DOI: 10.1021/acs.jpclett.6b01858
Water in Contact with a Cationic Lipid Exhibits Bulklike Vibrational Dynamics
J. Phys. Chem. B, 2016, 120 (38), pp 10069–10078
DOI: 10.1021/acs.jpcb.6b07085
Free Energies of Cavity and Noncavity Hydrated Electrons Near the Instantaneous Air/Water Interface
J. Phys. Chem. Lett., 2016, 7 (16), pp 3192–3198
DOI: 10.1021/acs.jpclett.6b01150
Is Water at the Graphite Interface Vapor-like or Ice-like?
J. Phys. Chem. B, 2018, 122 (13), pp 3626–3634
DOI: 10.1021/acs.jpcb.7b11476
Cationic and Anionic Impact on the Electronic Structure of Liquid Water
J. Phys. Chem. Lett., 2017, 8 (16), pp 3759–3764
DOI: 10.1021/acs.jpclett.7b01392
Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models
J. Phys. Chem. B, Volume: 121 Issue: 15 Pages: 3798-3803 Published: APR 20 2017
DOI: 10.1021/acs.jpcb.6b12437
Water’s Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-WaterInteractions
J. Phys. Chem. B, 2018, 122 (26), pp 6781–6789
DOI: 10.1021/acs.jpcb.8b02438
Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations
J. Phys. Chem. B, 2017, 121 (31), pp 7431–7442
DOI: 10.1021/acs.jpcb.7b03966
The Importance of the Water Molecular Quadrupole for Estimating Interfacial Potential Shifts Acting on Ions Near the Liquid-Vapor Interface
J. Phys. Chem. B, 2019, 123 (15), pp 3348–3358
DOI: 10.1021/acs.jpcb.9b01289
Selectivity in Electron Attachment to Water Clusters
J. Phys. Chem. Lett., 2019, 10 (6), pp 1180–1184
DOI: 10.1021/acs.jpclett.9b00275
Beyond Badger’s Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bonds
J. Phys. Chem. Lett., 2019, 10 (5), pp 918–924
DOI: 10.1021/acs.jpclett.8b03790

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