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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
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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
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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
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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
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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
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Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water
J. Phys. Chem. B, 2016, 120 (48), pp 12358–12370
DOI: 10.1021/acs.jpcb.6b08205
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Selectivity in Electron Attachment to Water Clusters
J. Phys. Chem. Lett., 2019, 10 (6), pp 1180–1184
DOI: 10.1021/acs.jpclett.9b00275
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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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