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Water Dimer Radical Cation: Structures, Vibrational Frequencies, and Energetics
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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An Introduction to Coupled Cluster Theory for Computational Chemists
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PSI3: An open‐source Ab Initio electronic structure package
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Photodetachment Spectroscopy of Negative Cluster Ions
inferredcites →https://doi.org/10.1007/978-3-642-84985-5_2openalex-snapshot
Solvated Atoms in Polar Solvents
inferredcites →https://doi.org/10.1007/978-3-642-84985-5_4openalex-snapshot
IR Spectroscopy of Hydrogen Bonded Charged Clusters
inferredcites →https://doi.org/10.1007/bf01429080openalex-snapshot
Mass spectroscopic study of some novel water clusters: (H2O)+ n ;n>3
inferredcites →https://doi.org/10.1007/bf01445010openalex-snapshot
Electron bombardment induced fragmentation of size selected neutral (D2O) n clusters
inferredcites →https://doi.org/10.1007/bf01543925openalex-snapshot
Negative ion photoelectron spectroscopy of solvated electron cluster anions, (H2O)− n and (NH3)− n
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Encyclopedia of Computational Chemistry
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Photoelectron spectrum of the water dimer
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Electronic and molecular structure of the water dimer cation. A theoretical study
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Do we observe the “adiabatic” ionizations of the water dimer? An interpretation of the threshold ionization energy and the nature of the ionic states
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Possible ion pairs in multiply charged water clusters
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The open-shell restricted Hartree—Fock singles and doubles coupled-cluster method including triple excitations CCSD (T): application to C+3
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Proton-transfer potential-energy surfaces of the water dimer cation (H2O)2+ in the 12A′' and 12A′ states
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Use of the molecular orbital Hessian for self-consistent-field (SCF) wavefunctions
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Dissociation patterns of (H2O)+ cluster ions, for n=2–6
inferredcites →https://doi.org/10.1016/s0009-2614(03)01085-6openalex-snapshot
Collisional reaction of water cluster cations (H2O)+ (n=2 and 3) with D2O
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A fifth-order perturbation comparison of electron correlation theories
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Water Dimer Cation: Density Functional Theory vs Ab Initio Theory
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Studies of Excess Electrons in Sodium Chloride Clusters and of Excess Protons in Water Clusters
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Reactivity and Thermochemical Properties of the Water Dimer Radical Cation in the Gas Phase
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Pathways and Dynamics of Dissociation of Ionized (H2O)2
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An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen
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Theoretical Study of the Ionization of the H2O-H2O, NH3-H2O, and FH-H2O Hydrogen-Bonded Molecules
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Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers
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Dissociation of Water During Formation of Anodic Aluminum Oxide
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Ab Initio CASSCF and DFT Investigations of (H2O)2+and (H2S)2+: Hemi-Bonded vs Proton-Transferred Structure
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An H/D Isotopic Substitution Study of the H 5 O 2 + ·Ar Vibrational Predissociation Spectra: Exploring the Putative Role of Fermi Resonances in the Bridging Proton Fundamentals
inferredcites →https://doi.org/10.1021/jp802140copenalex-snapshot
Electronic Structure of the Water Dimer Cation
inferredcites →https://doi.org/10.1021/jp811059zopenalex-snapshot
Degree of Initial Hole Localization/Delocalization in Ionized Water Clusters
inferredcites →https://doi.org/10.1021/jp811493sopenalex-snapshot
Spectroscopic Study of the Ion−Radical H-Bond in H 4 O 2 +
inferredcites →https://doi.org/10.1021/jp961030kopenalex-snapshot
Clusters: Structure, Energetics, and Dynamics of Intermediate States of Matter
inferredcites →https://doi.org/10.1021/jp962761nopenalex-snapshot
Structure and Energetics of Ionized Water Clusters: (H2O)n+, n = 2−5
inferredcites →https://doi.org/10.1021/jp982982oopenalex-snapshot
Small Charged Water Clusters: Cations
inferredcites →https://doi.org/10.1021/jp983195uopenalex-snapshot
Ground State of the (H2O)2+ Radical Cation: DFT versus Post-Hartree−Fock Methods
inferredcites →https://doi.org/10.1029/jz070i015p03687openalex-snapshot
Mass spectrometric measurements of positive ions at altitudes from 64 to 112 kilometers
inferredcites →https://doi.org/10.1038/s43586-021-00034-1openalex-snapshot
Computational molecular spectroscopy
inferredcites →https://doi.org/10.1063/1.1408302openalex-snapshot
Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses
inferredcites →https://doi.org/10.1063/1.1927522openalex-snapshot
The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion
inferredcites →https://doi.org/10.1063/1.2001654openalex-snapshot
Quantum studies of the vibrations in H3O2− and D3O2−
inferredcites →https://doi.org/10.1063/1.2150818openalex-snapshot
Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers
inferredcites →https://doi.org/10.1063/1.2202314openalex-snapshot
Dynamics and fragmentation of van der Waals clusters: (H2O)n, (CH3OH)n, and (NH3)n upon ionization by a 26.5eV soft x-ray laser
inferredcites →https://doi.org/10.1063/1.3098949openalex-snapshot
A new electronic structure method for doublet states: Configuration interaction in the space of ionized 1h and 2h1p determinants
inferredcites →https://doi.org/10.1063/1.435404openalex-snapshot
Photoionization of dimeric polyatomic molecules: Proton affinities of H2O and HF
inferredcites →https://doi.org/10.1063/1.436739openalex-snapshot
Electron attachment to van der Waals polymers of water
inferredcites →https://doi.org/10.1063/1.443164openalex-snapshot
A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
inferredcites →https://doi.org/10.1063/1.445134openalex-snapshot
Natural bond orbital analysis of near-Hartree–Fock water dimer
inferredcites →https://doi.org/10.1063/1.449914openalex-snapshot
Photoionization of water clusters at 11.83 eV: Observation of unprotonated cluster ions (H2O)+ n (2≤ n ≤10)
inferredcites →https://doi.org/10.1063/1.450390openalex-snapshot
Extensive theoretical studies of the hydrogen-bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2
inferredcites →https://doi.org/10.1063/1.453801openalex-snapshot
Electron localization in water clusters. II. Surface and internal states
inferredcites →https://doi.org/10.1063/1.454726openalex-snapshot
Electron localization in water clusters. I. Electron–water pseudopotential
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1063/1.457805openalex-snapshot
Photoelectron spectroscopy of hydrated electron cluster anions, (H2O)−n=2–69
inferredcites →https://doi.org/10.1063/1.458133openalex-snapshot
Transition structures for the interchange of hydrogen atoms within the water dimer
inferredcites →https://doi.org/10.1063/1.459796openalex-snapshot
Mixed cluster ions as a structure probe: Experimental evidence for clathrate structure of (H2O)2H+ and (H2O)21H+
inferredcites →https://doi.org/10.1063/1.461372openalex-snapshot
Interpretation of excited state Hartree–Fock analytic derivative anomalies for NO2 and HCO2 using the molecular orbital Hessian
inferredcites →https://doi.org/10.1063/1.461818openalex-snapshot
Electron transfer collisions between small water clusters and laser-excited Rydberg atoms
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.473167openalex-snapshot
Electronic absorption spectra of size-selected hydrated electron clusters: (H2O)n−, n=6–50
inferredcites →https://doi.org/10.1063/1.474178openalex-snapshot
Hartree–Fock orbital instability envelopes in highly correlated single-reference wave functions
inferredcites →https://doi.org/10.1063/1.476137openalex-snapshot
The protonated water dimer: Brueckner methods remove the spurious C1 symmetry minimum
inferredcites →https://doi.org/10.1080/01442350600679347openalex-snapshot
Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems
inferredcites →https://doi.org/10.1103/physrevlett.61.306openalex-snapshot
Evidence of Two Stable Forms of Doubly and Triply Charged Water Cluster
inferredcites →https://doi.org/10.1103/physrevlett.70.1775openalex-snapshot
Hydration of sodium in water clusters
inferredcites →https://doi.org/10.1126/science.1103527openalex-snapshot
Hydrated Electron Dynamics: From Clusters to Bulk
inferredcites →https://doi.org/10.1126/science.1104678openalex-snapshot
A Fresh Look at Electron Hydration
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Capture of Hydroxyl Radicals by Hydronium Cations in Water Microdroplets
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Spontaneous Oxidation in Aqueous Microdroplets: Water Radical Cation as Primary Oxidizing Agent
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Are Hydroxyl Radicals Spontaneously Generated in Unactivated Water Droplets?
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The Spectroscopic Features of Ionized Water Medium: Theoretical Characterization and Implication Using (H2O)n+, n=3–4, Cluster Model
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Extensions of DFTB to investigate molecular complexes and clusters
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Ionized water clusters , n = 2 to 6: A high‐accuracy study of structures and energetics
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Infrared Spectroscopy of Water Cluster Radical Cations (H2O)+ n (n ≤ 11)
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Ab initio investigation of cationic water cluster (H2O)+13 via particle swarm optimization algorithm
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Structures and stabilities of asymmetrical dimer radical cation systems (AH3–H2O)+ (A=N, P, As)
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Ab initio investigation of the lower-energy candidate structures for (H2O)10+ water cluster
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Ab initio investigation of possible lower-energy candidate structure for cationic water cluster (H2O) 12+ via particle swarm optimization method
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Infrared spectroscopy of large protonated water clusters H+(H2O)20–50 cooled by inert gas attachment
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Structural exploration and properties of (H2O)4+ cluster via ab initio in combination with particle swarm optimization method
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Ab initio study of cationic water cluster (H 2 O) 9 + via particle swarm optimization algorithm
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The structure and bonding of mixed component radical cation clusters
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Response of the hydrogen bond network to the ionization of bulk water: ab initio molecular dynamic simulations using H2S(aq)
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Evidence for the co-existence of isomers of water dimer radical cations and their inter-conversion in a linear ion trap
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Oxidation of oxalic acid on boron-doped diamond electrode in acidic solutions
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Stepwise Activation of Water by Open-Shell Interactions, Cl(H 2 O) n =4–8,17
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Photoelectron Spectroscopy of the Water Dimer Reveals Unpredicted Vibrational Structure
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Clarifying the Identity of the m / z 36 Ion in Water Microdroplet Mass Spectra
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Evolution Path of Nitrogen–Water Cluster Cation: A Computational Study
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Ion–Radical Pair Separation in Larger Oxidized Water Clusters, (H2O)+n=6–21
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Ab Initio Study of Ionized Water Radical Cation (H2O)8+in Combination with the Particle Swarm Optimization Method
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Hemibonding between Water Cation and Water
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Ionization of Ammonia Nanoices with Adsorbed Methanol Molecules
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Probing the Partial Activation of Water by Open-Shell Interactions, Cl(H2O)1–4
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Isolation and Infrared Spectroscopic Characterization of Hemibonded Water Dimer Cation in Superfluid Helium Nanodroplets
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Photorelaxation via Water-Mediated Electron Transfer in Fully Solvated Heptazine
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Electric Field Pushes the Water Dimer Radical Cation toward the Hemibonded Structure
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Observation of the Charge Resonance Band of Hemibonded (H 2 O) 2 + in the Gas Phase
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Polaronic Competition Triggers the H 2 O 2 Evolution on Perovskite Oxides during Water Oxidation
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Modeling Charge Resonance in Cationic Molecular Clusters: Combining DFT-Tight Binding with Configuration Interaction
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A Critical Reappraisal of the Evidence for Spontaneous Generation of Hydroxyl Radicals in Aqueous Nanodroplets
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Vibrational Signatures of Electronic Properties in Oxidized Water: Unraveling the Anomalous Spectrum of the Water Dimer Cation
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Quantum molecular motion in the mixed ion-radical complex, [(H 2 O)(H 2 S)] +
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Reactivity and energy level of a localized hole in liquid water
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Infrared spectroscopy of [H 2 O–X n ] + ( n = 1–3, X = N 2 , CO 2 , CO, and N 2 O) radical cation clusters: competition between hydrogen bond and hemibond formation of the water radical cation
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Mechanisms of ionization and of chemical reactions in charged microdroplets
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Spectroscopic signatures of proton transfer dynamics in the water dimer cation
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Chasing charge localization and chemical reactivity following photoionization in liquid water
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Ab initio investigation of the lower energy candidate structures for (H2O)5+ water cluster
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Correcting density-driven errors in projection-based embedding
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Photodissociation studies on (H2O) n +(n=2–5) clusters at 308 nm
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O–O hemi-bonding in cationic water clusters: Benchmarks from DFT, PNO-LCCSD(T), and FN-DMC
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Silica particles convert thiol-containing molecules to disulfides
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Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics
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Proton transfer dynamics following strong-field ionization of the water dimer
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Peculiarities of formation of hydroxonium ion and its small clusters
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Water Radical Cations in the Gas Phase: Methods and Mechanisms of Formation, Structure and Chemical Properties
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Functional Polymers for Anhydrous Proton Transport
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