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Eigen and Zundel Forms of Small Protonated Water Clusters: Structures and Infrared Spectra
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The computer simulation of proton transport in water
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Autoionization in Liquid Water
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Gas-Phase Infrared Spectrum of the Protonated Water Dimer
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Infrared Spectroscopic Evidence for Protonated Water Clusters Forming Nanoscale Cages
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Spectral Signatures of Hydrated Proton Vibrations in Water Clusters
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An Easy-to-Use Three-Dimensional Molecular Visualization and Analysis Program: POSMOL
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inferred← citeshttps://doi.org/10.1021/jp109999bopenalex-snapshot
Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H 5 O 2 + and Its Deuterated Analogues
inferred← citeshttps://doi.org/10.1021/jp110873topenalex-snapshot
Apparent Stoichiometry of Water in Proton Hydration and Proton Dehydration Reactions in CH3CN/H2O Solutions
inferred← citeshttps://doi.org/10.1021/jp112245vopenalex-snapshot
Structure and IR Spectra of Microhydrated Cl2 with an Excess Electron: Experiment versus Theory
inferred← citeshttps://doi.org/10.1021/jp112380fopenalex-snapshot
A Partial Proton Transfer in Hydrogen Bond O−H···O in Crystals of Anhydrous Potassium and Rubidium Complex Chloranilates
inferred← citeshttps://doi.org/10.1021/jp410446dopenalex-snapshot
Both Zundel and Eigen Isomers Contribute to the IR Spectrum of the Gas-Phase H9O4+ Cluster
inferred← citeshttps://doi.org/10.1021/jp410927aopenalex-snapshot
CO Capture and Conversion to HOCO Radical by Ionized Water Clusters
inferred← citeshttps://doi.org/10.1021/jp508862topenalex-snapshot
Vibrational Excitation Induced Proton Transfer in Hydrated Nafion Membranes
inferred← citeshttps://doi.org/10.1021/jp509004jopenalex-snapshot
Protonated Water Dimer on Benzene: Standing Eigen or Crouching Zundel?
inferred← citeshttps://doi.org/10.1021/jp511305copenalex-snapshot
Driven Molecular Dynamics Studies of the Shared Proton Motion in the H5O2+·Ar Cluster: The Effect of Argon Tagging and Deuteration on Vibrational Spectra
inferred← citeshttps://doi.org/10.1021/jp7098587openalex-snapshot
Structure of Protonated Carbon Dioxide Clusters: Infrared Photodissociation Spectroscopy and ab Initio Calculations
inferred← citeshttps://doi.org/10.1021/jp801678ropenalex-snapshot
Undissociated versus Dissociated Structures for Water Clusters and Ammonia−Water Clusters: (H2O)n and NH3(H2O)n−1 (n = 5, 8, 9, 21). Theoretical Study
inferred← citeshttps://doi.org/10.1021/jp804806uopenalex-snapshot
Structure, Stability, Thermodynamic Properties, and Infrared Spectra of the Protonated Water Octamer H+(H2O)8
inferred← citeshttps://doi.org/10.1021/jp8066475openalex-snapshot
A Modified MSEVB Force Field for Protonated Water Clusters
inferred← citeshttps://doi.org/10.1021/jp810599fopenalex-snapshot
Molecular Dynamics Simulations of Electrosprayed Water Nanodroplets: Internal Potential Gradients, Location of Excess Charge Centers, and “Hopping” Protons
inferred← citeshttps://doi.org/10.1021/jp810735mopenalex-snapshot
Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Water Clusters H3O+(H2O)n−1 (n ≤ 7)
inferred← citeshttps://doi.org/10.1021/jp900737ropenalex-snapshot
Calculation of the Vibrational Spectra of H5O2+ and Its Deuterium-Substituted Isotopologues by Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/jp904576uopenalex-snapshot
Stepwise Hydration of Protonated Carbonic Acid: A Theoretical Study
inferred← citeshttps://doi.org/10.1038/s41557-026-02169-8openalex-snapshot
Cation-directed assembly and sequential functionalization enable superprotonic polyanion–organic frameworks for high-power fuel cells
inferred← citeshttps://doi.org/10.1039/b925551fopenalex-snapshot
Comparison of cationic, anionic and neutral hydrogen bonded dimers
inferred← citeshttps://doi.org/10.1039/c0ce00722fopenalex-snapshot
{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
inferred← citeshttps://doi.org/10.1039/c0cp02068kopenalex-snapshot
Proton transfer reactions and dynamics in protonated water clusters
inferred← citeshttps://doi.org/10.1039/c1cp20207copenalex-snapshot
Infrared photodissociation spectroscopy of H+(H2O)6·Mm (M = Ne, Ar, Kr, Xe, H2, N2, and CH4): messenger-dependent balance between H3O+ and H5O2+ core isomers
inferred← citeshttps://doi.org/10.1039/c1cp22532dopenalex-snapshot
Structure, stability and spectral signatures of monoprotic carborane acid–water clusters (CBWn, where n = 1–6)
inferred← citeshttps://doi.org/10.1039/c3cp50337bopenalex-snapshot
Vibrational signatures of Watson–Crick base pairing in adenine–thymine mimics
inferred← citeshttps://doi.org/10.1039/c3cp53146eopenalex-snapshot
Ab initio studies on the proton dissociation and infrared spectra of sulfonated poly(ether ether ketone) (SPEEK) membranes
inferred← citeshttps://doi.org/10.1039/c3cp54026jopenalex-snapshot
Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods
inferred← citeshttps://doi.org/10.1039/c3cp54841dopenalex-snapshot
Infrared multiple photon dissociation spectroscopy and density functional theory (DFT) studies of protonated permethylated β-cyclodextrin–water non-covalent complexes
inferred← citeshttps://doi.org/10.1039/c3sc52862fopenalex-snapshot
Thermodynamics of hydronium and hydroxide surface solvation
inferred← citeshttps://doi.org/10.1039/c4cp00970copenalex-snapshot
Competition between excited state proton and OH − transport via a short water wire: solvent effects open the gate
inferred← citeshttps://doi.org/10.1039/c4cp05685jopenalex-snapshot
Isolating the spectral signature of H 3 O + in the smallest droplet of dissociated HCl acid
inferred← citeshttps://doi.org/10.1039/c5cp05201gopenalex-snapshot
Disulfuric acid dissociated by two water molecules: ab initio and density functional theory calculations
inferred← citeshttps://doi.org/10.1039/c6cp08870hopenalex-snapshot
Insights into acid dissociation of HCl and HBr with internal electric fields
inferred← citeshttps://doi.org/10.1039/c7ce00501fopenalex-snapshot
Experimental evidence of a 3-centre, 2-electron covalent bond character of the central O–H–O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate
inferred← citeshttps://doi.org/10.1039/d1ta09878kopenalex-snapshot
Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalysts
inferred← citeshttps://doi.org/10.1039/d3cp05918aopenalex-snapshot
Infrared spectra of Si n H 4 n −1 + ions ( n = 2–8): inorganic H–(Si–H) n −1 hydride wires of penta-coordinated Si in 3c–2e and charge-inverted hydrogen bonds
inferred← citeshttps://doi.org/10.1039/d3re00340jopenalex-snapshot
Energetics of acid catalyzed biomass reactions: how and why does the solvent model matter?
inferred← citeshttps://doi.org/10.1039/d6cp00702copenalex-snapshot
Surface curvature effects in neutral and protonated water clusters: insights from DFT and energy decomposition analysis
inferred← citeshttps://doi.org/10.1039/d6cp00987eopenalex-snapshot
Near-infrared spectroscopy of micro-solvated protonated methanol
inferred← citeshttps://doi.org/10.1063/1.2834217openalex-snapshot
Hydrogen detachment of the hydrated hydrohalogen acids upon attaching an excess electron
inferred← citeshttps://doi.org/10.1063/1.2943671openalex-snapshot
Structures, energetics, vibrational spectra of NH4+(H2O)n=4,6 clusters:Ab initiocalculations and first principles molecular dynamics simulations
inferred← citeshttps://doi.org/10.1063/1.3521273openalex-snapshot
Infrared spectroscopy and effective modes analysis of the protonated water dimer H+(H2O)2 at room temperature under H/D substitution
inferred← citeshttps://doi.org/10.1063/1.3533229openalex-snapshot
Infrared spectroscopy of small protonated water clusters at room temperature: An effective modes analysis
inferred← citeshttps://doi.org/10.1063/1.4891721openalex-snapshot
Ab initio investigation of the lower energy candidate structures for (H2O)5+ water cluster
inferred← citeshttps://doi.org/10.1063/1.4904293openalex-snapshot
Direct path integral estimators for isotope fractionation ratios
inferred← citeshttps://doi.org/10.1063/1.4972581openalex-snapshot
Communication: Trapping a proton in argon: Spectroscopy and theory of the proton-bound argon dimer and its solvation
inferred← citeshttps://doi.org/10.1063/1.4980121openalex-snapshot
IR spectral assignments for the hydrated excess proton in liquid water
inferred← citeshttps://doi.org/10.1063/1.5001162openalex-snapshot
Correlated ion and neutral time of flight technique combined with velocity map imaging: Quantitative measurements for dissociation processes in excited molecular nano-systems
inferred← citeshttps://doi.org/10.1063/1.5026383openalex-snapshot
Revisit the landscape of protonated water clusters H+(H2O)n with n = 10–17: An ab initio global search
inferred← citeshttps://doi.org/10.1063/1.5063872openalex-snapshot
Interaction and transfer of charged particles from an alternating current glow discharge in liquids: Application to silver nanoparticle synthesis
inferred← citeshttps://doi.org/10.1063/5.0088591openalex-snapshot
Electron-induced fragmentation of water droplets: Simulation study
inferred← citeshttps://doi.org/10.1063/5.0116686openalex-snapshot
Proton-transfer spectroscopy beyond the normal-mode scenario
inferred← citeshttps://doi.org/10.1063/5.0119631openalex-snapshot
Coupled local mode method for simulating vibrational spectroscopy
inferred← citeshttps://doi.org/10.1073/pnas.2415713122openalex-snapshot
Structural insight into sodium ion pathway in the bacterial flagellar stator from marine Vibrio
inferred← citeshttps://doi.org/10.1080/00268970902784900openalex-snapshot
Structure, stability, thermodynamic properties and IR spectra of the protonated water cluster H+(H2O)9
inferred← citeshttps://doi.org/10.1080/01442350903079955openalex-snapshot
The structure and vibrational spectra of proton hydrates: as a simplest stable ion
inferred← citeshttps://doi.org/10.1088/1361-6463/ad809copenalex-snapshot
The role of proton battery technologies in future global energy storage
inferred← citeshttps://doi.org/10.1093/mnras/staf1267openalex-snapshot
Interstellar proton-mediated sugar formation in isolated gas-phase systems: a quantum chemical study
inferred← citeshttps://doi.org/10.1126/science.aab3908openalex-snapshot
Ultrafast 2D IR spectroscopy of the excess proton in liquid water
inferred← citeshttps://doi.org/10.1127/0935-1221/2014/0026-2384openalex-snapshot
Whitecapsite, a new hydrous iron and trivalent antimony arsenate mineral from the White Caps mine, Nevada, USA
inferred← citeshttps://doi.org/10.1134/s1063776123070117openalex-snapshot
Structure of Ion–Molecular H+(H2O)n (n = 2–6) Complexes and the Thermodynamic Characteristics of Proton Hydration in Gas Atmosphere
inferred← citeshttps://doi.org/10.1134/s1070363223120216openalex-snapshot
Hydrate-Anion Complex of Proton [H(H2O)n]+А− as the Basis of the Complex Acidity Function Н0w of Aqueous Solutions of Strong Mineral Acids in Excess of Water
inferred← citeshttps://doi.org/10.1142/s0219633610005475openalex-snapshot
MICROHYDRATION OF HYDRONIUM ION AND ZÜNDEL ION: A MANY-BODY ANALYSIS APPROACH
inferred← citeshttps://doi.org/10.1180/mgm.2022.13openalex-snapshot
The new mineral zolotarevite, Na5Zr[Si6O15(ОН)3]⋅2–3H2O, the first highly hydrated lovozerite-group member from the Lovozero alkaline massif, Kola Peninsula, Russia
inferred← citeshttps://doi.org/10.15407/ujpe57.11.1149openalex-snapshot
Pseudo Jahn−Teller Origin of the Proton Tunneling in Zundel Cation Containing Water Clusters
inferred← citeshttps://doi.org/10.2138/am.2012.3867openalex-snapshot
Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile
inferred← citeshttps://doi.org/10.26434/chemrxiv.10049846.v1openalex-snapshot
Effect of Droplet Size and Counterions on the Spatial Distribution of Ions
inferred← citeshttps://doi.org/10.26434/chemrxiv.10049846.v3openalex-snapshot
Effect of Droplet Size and Counterions on the Spatial Distribution of Ions
inferred← citeshttps://doi.org/10.26599/nr.2025.94907743openalex-snapshot
Recent advances in polyoxometalate-based proton conducting materials: Design strategies, conduction mechanisms, structure–function relationships and future perspectives
inferred← citeshttps://doi.org/10.31857/s0044451023070015openalex-snapshot
Structure of Ion–Molecular H+(H2O)n (n = 2–6) Complexes and the Thermodynamic Characteristics of Proton Hydration in Gas Atmosphere
inferred← citeshttps://doi.org/10.3749/canmin.2100064openalex-snapshot
Thorasphite, Th2H(AsO4)2(PO4)·6H2O, a New Mineral from Elsmore, New South Wales, Australia
inferred← citeshttps://doi.org/10.70675/70769e3fz2cd2z4110za332z68b014e3ed3aopenalex-snapshot
Protonated water clusters by stochastic approaches : probing machine learning resilience against quantum Monte Carlo noise
inferred← citeshttps://doi.org/10.70675/c5947e7ezb0fdz40d0z875az4419c5bae3ddopenalex-snapshot
Fully quantum dynamics of protonated water clusters
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