On the public citation graph
Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution
0 signed · 160 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/cphc.200600561openalex-snapshot
Dipole Moment, Hydrogen Bonding and IR Spectrum of Confined Water
inferredcites →https://doi.org/10.1002/jcc.10228openalex-snapshot
Comparative studies of quasi‐relativistic density functional methods for the description of lanthanide and actinide complexes
inferredcites →https://doi.org/10.1002/qua.10448openalex-snapshot
Description of the metal–ligand bonding in f‐element complexes: A DFT study including scalar relativistic effects
inferredcites →https://doi.org/10.1016/0009-2614(94)01377-8openalex-snapshot
Monte Carlo simulations of M+Cl− (H2O) (M = Li, Na) clusters and the dissolving mechanism of ion pairs in water
inferredcites →https://doi.org/10.1016/0263-7855(96)00018-5openalex-snapshot
VMD: Visual molecular dynamics
inferredcites →https://doi.org/10.1016/0301-0104(86)85058-3openalex-snapshot
A new determination of the structure of water at 25°C
inferredcites →https://doi.org/10.1016/j.bpc.2006.04.018openalex-snapshot
X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions
inferredcites →https://doi.org/10.1016/j.cplett.2003.08.077openalex-snapshot
Lithium(I) ion hydration: a QM/MM-MD study
inferredcites →https://doi.org/10.1016/s0006-3495(97)78647-8openalex-snapshot
Charge density-dependent strength of hydration and biological structure
inferredcites →https://doi.org/10.1016/s0009-2614(98)00064-5openalex-snapshot
The hydration shell structure of Li+ investigated by Born–Oppenheimer ab initio QM/MM dynamics
inferredcites →https://doi.org/10.1016/s0010-4655(99)00496-8openalex-snapshot
Moldy: a portable molecular dynamics simulation program for serial and parallel computers
inferredcites →https://doi.org/10.1016/s0038-1098(98)00175-6openalex-snapshot
Maximally-localized Wannier functions for disordered systems: Application to amorphous silicon
inferredcites →https://doi.org/10.1021/cr00019a014openalex-snapshot
Structure and dynamics of hydrated ions
inferredcites →https://doi.org/10.1021/ic060149xopenalex-snapshot
A Theoretical Characterization of Covalency in Rare Earth Complexes through Their Absorption Electronic Properties: f−f Transitions
inferredcites →https://doi.org/10.1021/ic9905953openalex-snapshot
Coordination Chemistry of Trivalent Lanthanide and Actinide Ions in Dilute and Concentrated Chloride Solutions
inferredcites →https://doi.org/10.1021/j100011a055openalex-snapshot
Hydration of Lithium Ion in Aqueous Solutions
inferredcites →https://doi.org/10.1021/j100143a051openalex-snapshot
X-ray diffraction study on aqueous lithium chloride solution in the temperature range 138-373 K
inferredcites →https://doi.org/10.1021/j100724a071openalex-snapshot
Nuclear magnetic resonance study of concentrated lithium chloride solutions
inferredcites →https://doi.org/10.1021/j150643a008openalex-snapshot
Hydration and mobility of ions in solution
inferredcites →https://doi.org/10.1021/ja00082a011openalex-snapshot
Evidence for resonance-assisted hydrogen bonding. 4. Covalent nature of the strong homonuclear hydrogen bond. Study of the O-H--O system by crystal structure correlation methods
inferredcites →https://doi.org/10.1021/ja00104a073openalex-snapshot
Ab Initio Molecular Dynamics Study of Hydrochloric Acid in Water
inferredcites →https://doi.org/10.1021/ja011030kopenalex-snapshot
Dynamics of Water Molecules in the Br- Solvation Shell: An ab Initio Molecular Dynamics Study
inferredcites →https://doi.org/10.1021/ja026014hopenalex-snapshot
How Ions Affect the Structure of Water
inferredcites →https://doi.org/10.1021/je00013a019openalex-snapshot
Viscosity and density of aqueous solutions of lithium bromide, lithium chloride, zinc bromide, calcium chloride and lithium nitrate. 1. Single salt solutions
inferredcites →https://doi.org/10.1021/je00013a020openalex-snapshot
Viscosity and density of aqueous solutions of lithium bromide, lithium chloride, zinc bromide, calcium chloride and lithium nitrate. 2. Two-salt solutions
inferredcites →https://doi.org/10.1021/jp026677lopenalex-snapshot
Temperature and Concentration Effects on Li+-Ion Hydration. A Molecular Dynamics Simulation Study
inferredcites →https://doi.org/10.1021/jp048550xopenalex-snapshot
Quantum Chemistry Study of Actinide(III) and Lanthanide(III) Complexes with Tridentate Nitrogen Ligands
inferredcites →https://doi.org/10.1021/jp050428qopenalex-snapshot
Solvation Dynamics of Li+ and Cl- Ions in Liquid Methanol
inferredcites →https://doi.org/10.1021/jp061365uopenalex-snapshot
Ionic Liquids from Car−Parrinello Simulations, Part I: Liquid AlCl3
inferredcites →https://doi.org/10.1021/jp064659oopenalex-snapshot
Structural and Dynamic Properties of Concentrated Alkali Halide Solutions: A Molecular Dynamics Simulation Study
inferredcites →https://doi.org/10.1021/jp962513ropenalex-snapshot
Ab Initio Study of Aqueous Hydrochloric Acid
inferredcites →https://doi.org/10.1021/jp973465topenalex-snapshot
Water Exchange around Li+ and Na+ in LiCl(aq) and NaCl(aq) from MD Simulations
inferredcites →https://doi.org/10.1039/b307279gopenalex-snapshot
Structure and dynamics of concentrated hydrochloric acid solutions. A first principles molecular dynamics study
inferredcites →https://doi.org/10.1063/1.1311965openalex-snapshot
Ab initio molecular dynamics simulation of LiBr association in water
inferredcites →https://doi.org/10.1063/1.1342815openalex-snapshot
Hydration of Li+ ion. An ab initio molecular dynamics simulation
inferredcites →https://doi.org/10.1063/1.1388901openalex-snapshot
Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared
inferredcites →https://doi.org/10.1063/1.1421366openalex-snapshot
An ab initio study of water molecules in the bromide ion solvation shell
inferredcites →https://doi.org/10.1063/1.1480875openalex-snapshot
The hydration structure of the lithium ion
inferredcites →https://doi.org/10.1063/1.1624362openalex-snapshot
Density functional theory based molecular-dynamics study of aqueous chloride solvation
inferredcites →https://doi.org/10.1063/1.1630560openalex-snapshot
Towards an assessment of the accuracy of density functional theory for first principles simulations of water
inferredcites →https://doi.org/10.1063/1.1676531openalex-snapshot
Comparison of Shear and Conductivity Relaxation Times for Concentrated Lithium Chloride Solutions
inferredcites →https://doi.org/10.1063/1.1679089openalex-snapshot
Diffraction pattern and structure of aqueous lithium chloride solutions
inferredcites →https://doi.org/10.1063/1.1680328openalex-snapshot
Dipole moment of water from Stark measurements of H2O, HDO, and D2O
inferredcites →https://doi.org/10.1063/1.1701694openalex-snapshot
X-Ray Diffraction Studies of Aqueous Alkali-Metal Halide Solutions
inferredcites →https://doi.org/10.1063/1.1877192openalex-snapshot
On the structure of aqueous LiCl solutions
inferredcites →https://doi.org/10.1063/1.2218338openalex-snapshot
Density functional study of ion hydration for the alkali metal ions (Li+,Na+,K+) and the halide ions (F−,Br−,Cl−)
inferredcites →https://doi.org/10.1063/1.444090openalex-snapshot
Neutron diffraction study of light and heavy water mixtures at 25 °C
inferredcites →https://doi.org/10.1063/1.462298openalex-snapshot
Water structure in concentrated lithium chloride solutions
inferredcites →https://doi.org/10.1063/1.462555openalex-snapshot
Development of nonadditive intermolecular potentials using molecular dynamics: Solvation of Li+ and F− ions in polarizable water
inferredcites →https://doi.org/10.1063/1.466454openalex-snapshot
Pulsed neutron diffraction study on lithium (I) hydration in supercooled aqueous chloride solutions
inferredcites →https://doi.org/10.1063/1.468318openalex-snapshot
Orientational correlation function for molecular liquids: The case of liquid water
inferredcites →https://doi.org/10.1063/1.471957openalex-snapshot
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
inferredcites →https://doi.org/10.1063/1.477058openalex-snapshot
Molecular multipole moments of water molecules in ice Ih
inferredcites →https://doi.org/10.1063/1.479418openalex-snapshot
Ab initio molecular-dynamics simulation of K+ solvation in water
inferredcites →https://doi.org/10.1063/1.479638openalex-snapshot
Structural, electronic, and bonding properties of liquid water from first principles
inferredcites →https://doi.org/10.1063/1.480994openalex-snapshot
Anion–anion pairing in concentrated aqueous lithium chloride solution
inferredcites →https://doi.org/10.1080/0026897031000092256openalex-snapshot
Molecular simulation of LiCl aqueous solutions
inferredcites →https://doi.org/10.1080/00268970410001711904openalex-snapshot
Structure of NaCl and KCl concentrated aqueous solutions byab initiomolecular dynamics
inferredcites →https://doi.org/10.1088/0022-3719/13/32/001openalex-snapshot
Lithium ions in aqueous solution
inferredcites →https://doi.org/10.1088/0022-3719/17/28/002openalex-snapshot
Indirect and direct correlations between unlike ions in incompletely hydrated solution
inferredcites →https://doi.org/10.1088/0022-3719/18/22/005openalex-snapshot
The structure of a highly concentrated aqueous solution of lithium chloride
inferredcites →https://doi.org/10.1088/0034-4885/44/6/001openalex-snapshot
The structure of electrolyte solutions
inferredcites →https://doi.org/10.1088/0953-8984/1/1/021openalex-snapshot
The intra-molecular structure of a water molecule in hydrated and incompletely hydrated LiCl solutions
inferredcites →https://doi.org/10.1088/0953-8984/3/5/005openalex-snapshot
Microscopic structure of LiCl.6D2O in glassy and liquid phases
inferredcites →https://doi.org/10.1088/0953-8984/8/25/004openalex-snapshot
hydration in concentrated aqueous solution
inferredcites →https://doi.org/10.1098/rspa.1983.0136openalex-snapshot
The structure of an aqueous solution of nickel chloride
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.33.8822openalex-snapshot
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
inferredcites →https://doi.org/10.1103/physrevb.43.1993openalex-snapshot
Efficient pseudopotentials for plane-wave calculations
inferredcites →https://doi.org/10.1103/physrevb.56.12847openalex-snapshot
Maximally localized generalized Wannier functions for composite energy bands
inferredcites →https://doi.org/10.1103/physrevb.73.024208openalex-snapshot
Ion hydration studied by x-ray Compton scattering
inferredcites →https://doi.org/10.1103/physrevlett.48.1425openalex-snapshot
Efficacious Form for Model Pseudopotentials
inferredcites →https://doi.org/10.1103/physrevlett.55.2471openalex-snapshot
Unified Approach for Molecular Dynamics and Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.82.3308openalex-snapshot
Water Molecule Dipole in the Gas and in the Liquid Phase
inferredcites →https://doi.org/10.1103/physrevlett.82.5415openalex-snapshot
Erratum: Water Molecule Dipole in the Gas and in the Liquid Phase [Phys. Rev. Lett. 82, 3308 (1999)]
inferredcites →https://doi.org/10.1246/bcsj.52.2755openalex-snapshot
Neutron Diffraction Study of Aqueous Ionic Solutions. I. Aqueous Solutions of Lithium Chloride and Caesium Chloride
inferredcites →https://doi.org/10.1246/bcsj.70.47openalex-snapshot
The Short-Range Structure around Li+ in Highly Concentrated Aqueous LiBr Solutions
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4661294openalex-extracted
Atomistic Insight into the Li+/Mg2+ Separation Mechanism in Ca2+-Supported Graphene Membrane: Synergistic Effect of Dehydration Behavior and Interfacial Interaction
inferred← citeshttps://doi.org/10.1002/adfm.202112709openalex-snapshot
[LiCl2]− Superhalide: A New Charge Carrier for Graphite Cathode of Dual‐Ion Batteries
inferred← citeshttps://doi.org/10.1002/cssc.202300465openalex-snapshot
Nitrogen Electrocatalysis: Electrolyte Engineering Strategies to Boost Faradaic Efficiency
inferred← citeshttps://doi.org/10.1007/s10450-019-00082-wopenalex-snapshot
Anomalous changes of intermolecular distance in aqueous electrolytes in narrow pores of carbon nanotubes
inferred← citeshttps://doi.org/10.1007/s10876-015-0948-9openalex-snapshot
Structure of Aqueous Lithium Tetraborate Solution
inferred← citeshttps://doi.org/10.1007/s10953-023-01339-3openalex-snapshot
Solvent Shared Ion Pairs and Direct Contacted Ion Pairs in LiCl Aqueous Solution by IR Ratio Spectra
inferred← citeshttps://doi.org/10.1016/j.apmate.2022.100075openalex-snapshot
Insight into the self-discharge suppression of electrochemical capacitors: Progress and challenges
inferred← citeshttps://doi.org/10.1016/j.cclet.2025.110824openalex-snapshot
Temperature-tolerant electrochromic devices enabled by LiCl water-in-salt electrolyte with excellent performance
inferred← citeshttps://doi.org/10.1016/j.chemgeo.2016.06.005openalex-snapshot
Hydrothermal transport, deposition, and fractionation of the REE: Experimental data and thermodynamic calculations
inferred← citeshttps://doi.org/10.1016/j.chemgeo.2016.10.021openalex-snapshot
A review of the coordination chemistry of hydrothermal systems, or do coordination changes make ore deposits?
inferred← citeshttps://doi.org/10.1016/j.chemphys.2014.02.006openalex-snapshot
Solvation structure and dynamics of Li+ ion in liquid water, methanol and ethanol: A comparison study
inferred← citeshttps://doi.org/10.1016/j.chemphys.2020.110815openalex-snapshot
Study of ion dynamics of LiI·6H2O in the supercooled liquid state using NMR spectroscopy and ionic conductivity measurements
inferred← citeshttps://doi.org/10.1016/j.chemphys.2023.112117openalex-snapshot
A molecular dynamics simulations study on the modification of aqueous solution structure and dynamics in presence of monovalent salts: An electronic continuum correction approach and effect of ion size
inferred← citeshttps://doi.org/10.1016/j.comptc.2017.06.005openalex-snapshot
Microsolvation of lithium iodide dimer studied by ab initio calculations
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.04.035openalex-snapshot
Car–Parrinello molecular dynamics simulations of Na+ solvation in water, methanol and ethanol
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.05.004openalex-snapshot
Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes
inferred← citeshttps://doi.org/10.1016/j.fluid.2015.05.014openalex-snapshot
Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment
inferred← citeshttps://doi.org/10.1016/j.fluid.2020.112914openalex-snapshot
Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO3 Solutions
inferred← citeshttps://doi.org/10.1016/j.fluid.2022.113696openalex-snapshot
Thermodynamic modeling of aqueous lithium salt solutions with association electrolyte nonrandom two-liquid activity coefficient model
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2022.111732openalex-snapshot
Electron paramagnetic resonance characterization and electron spin relaxation of manganate ion in glassy alkaline LiCl solution and doped into Cs2SO4
inferred← citeshttps://doi.org/10.1016/j.molliq.2011.10.014openalex-snapshot
Neutron and X-ray diffraction measurements on highly concentrated aqueous LiCl solutions
inferred← citeshttps://doi.org/10.1016/j.molliq.2013.09.026openalex-snapshot
Influence of the Drude charge value on the performance of polarisable water model: A test for microscopic and macroscopic parameters
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.05.044openalex-snapshot
The structure of aqueous lithium chloride solutions at high concentrations as revealed by a comparison of classical interatomic potential models
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.10.059openalex-snapshot
Microscopic insight into the ion aggregation characteristics in aqueous MgCl2 and MgCl2–LiCl solutions: Implications for Mg2+/Li+ separation
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.114551openalex-snapshot
Salt effects on liquid-liquid equilibria in the ternary water/n-butanol/HMF system and solvent effects on HMF separation from water
inferred← citeshttps://doi.org/10.1016/j.molliq.2022.120500openalex-snapshot
Molecular dynamics simulations of LiCl ion pairs in high temperature aqueous solutions by deep learning potential
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.121238openalex-snapshot
Fine analysis of the component effect on the microstructure of LiCl solution
inferred← citeshttps://doi.org/10.1016/j.physa.2015.09.008openalex-snapshot
Dynamics of water clusters in solution with LiCl
inferred← citeshttps://doi.org/10.1016/j.saa.2021.120543openalex-snapshot
Raman spectroscopy study for the systems (LiCl-H2O and LiCl-MgCl2-H2O): Excess spectra and hydration shell spectra
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5c00959openalex-snapshot
Theoretical Terahertz Spectroscopy of Aqueous Solutions: From Electronic Structure to Molecular Understanding
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00833openalex-snapshot
Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent–Lithium-Salt Systems in Lithium-Oxygen Batteries
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00083openalex-snapshot
Self-Consistent Implementation of a Solvation Free Energy Framework to Predict the Salt Solubilities of Six Alkali Halides
inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c10599openalex-snapshot
Resolving the Equal Number Density Puzzle: Molecular Picture from Simulations of LiCl(aq) and NaCl(aq)
inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c01255openalex-snapshot
Low-Frequency Spectra of Hydrated Ionic Liquids with Kosmotropic and Chaotropic Anions
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b01430openalex-snapshot
Structural Properties and Dynamics of Thiophene in Sub/Supercritical Carbon Dioxide from Car–Parrinello Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpcb.7b06061openalex-snapshot
Sensitivity of Electron Transfer Mediated Decay to Ion Pairing
inferred← citeshttps://doi.org/10.1021/acs.jpcb.7b11334openalex-snapshot
Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b08743openalex-snapshot
Ion–Molecule Complex Dissociation and Formation Dynamics in LiCl Aqueous Solutions from 2D IR Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b10552openalex-snapshot
Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution–Air Interface
inferred← citeshttps://doi.org/10.1021/acs.jpcb.9b06038openalex-snapshot
Dynamics of Water Molecules and Ions in Concentrated Lithium Chloride Solutions Probed with Ultrafast 2D IR Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpclett.6c01411openalex-snapshot
Observation of the Structure and Dynamics of Water in Aqueous Alkaline Chloride Solutions under Gigapascal Pressure by Neutron Scattering
inferred← citeshttps://doi.org/10.1021/ct200320zopenalex-snapshot
Solvation Structure and Dynamics of Ni2+(aq) from First Principles
inferred← citeshttps://doi.org/10.1021/ct900096nopenalex-snapshot
On Ion and Molecular Polarization of Halides in Water
inferred← citeshttps://doi.org/10.1021/jp109723vopenalex-snapshot
[CuCl3]− and [CuCl4]2− Hydrates in Concentrated Aqueous Solution: A Density Functional Theory and ab Initio Study
inferred← citeshttps://doi.org/10.1021/jp111239vopenalex-snapshot
Low-Frequency Modes of Aqueous Alkali Halide Solutions: An Ultrafast Optical Kerr Effect Study
inferred← citeshttps://doi.org/10.1021/jp402532eopenalex-snapshot
Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions
inferred← citeshttps://doi.org/10.1021/jp409528ropenalex-snapshot
Saturation Behavior in X-ray Raman Scattering Spectra of Aqueous LiCl
inferred← citeshttps://doi.org/10.1021/jp8017106openalex-snapshot
Molecular Dynamics Study of the Coordination Sphere of Trivalent Lanthanum in a Highly Concentrated LiCl Aqueous Solution: a Combined Classical and Ab Initio Approach
inferred← citeshttps://doi.org/10.1021/jp810379mopenalex-snapshot
Structure of Aqueous Solutions of Monosodium Glutamate
inferred← citeshttps://doi.org/10.1021/jp906934uopenalex-snapshot
Infrared Spectroscopic Study of the Effect of Electrostatic Interaction on the Molecular Arrangement in the Hydration Shell around Li+ in a Nafion Membrane
inferred← citeshttps://doi.org/10.1021/jp909092popenalex-snapshot
Hydrates of Copper Dichloride in Aqueous Solution: A Density Functional Theory and Polarized Continuum Model Investigation
inferred← citeshttps://doi.org/10.1021/jz402177qopenalex-snapshot
Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water
inferred← citeshttps://doi.org/10.1038/nchem.2727openalex-snapshot
Observation of electron-transfer-mediated decay in aqueous solution
inferred← citeshttps://doi.org/10.1038/s41467-021-23360-0openalex-snapshot
Salting-out effect promoting highly efficient ambient ammonia synthesis
inferred← citeshttps://doi.org/10.1038/s41467-022-28538-8openalex-snapshot
Dissolving salt is not equivalent to applying a pressure on water
inferred← citeshttps://doi.org/10.1039/c0fd00005aopenalex-snapshot
The structure and terahertz dynamics of water confined in nanoscale pools in salt solutions
inferred← citeshttps://doi.org/10.1039/c2cp40703eopenalex-snapshot
The dynamic crossover in water does not require bulk water
inferred← citeshttps://doi.org/10.1039/c3cp50652eopenalex-snapshot
Linking electronic and molecular structure: insight into aqueous chloride solvation
inferred← citeshttps://doi.org/10.1039/c4cp02822hopenalex-snapshot
A continuum solvent model of ion–ion interactions in water
inferred← citeshttps://doi.org/10.1039/c4cp05268dopenalex-snapshot
Solvation shell resolved THz spectra of simple aqua ions – distinct distance- and frequency-dependent contributions of solvation shells
inferred← citeshttps://doi.org/10.1039/c9ta08066jopenalex-snapshot
Superfast high-energy storage hybrid device composed of MXene and Chevrel-phase electrodes operated in saturated LiCl electrolyte solution
inferred← citeshttps://doi.org/10.1063/1.3268703openalex-snapshot
Structural aspects of the solvation shell of lysine and acetylated lysine: A Car–Parrinello and classical molecular dynamics investigation
inferred← citeshttps://doi.org/10.1063/1.3595261openalex-snapshot
Ab initio calculation of the potential of mean force for dissociation of aqueous Ca–Cl
inferred← citeshttps://doi.org/10.1063/1.3678294openalex-snapshot
Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: The case of the halide ions F−, Cl−, and Br−
inferred← citeshttps://doi.org/10.1063/1.4812396openalex-snapshot
Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li+(aq) and F−(aq)
inferred← citeshttps://doi.org/10.1063/1.4927093openalex-snapshot
Distinct dissociation kinetics between ion pairs: Solvent-coordinate free-energy landscape analysis
inferred← citeshttps://doi.org/10.1063/5.0178123openalex-snapshot
Structural and dynamical properties of concentrated alkali- and alkaline-earth metal chloride aqueous solutions
inferred← citeshttps://doi.org/10.1080/00268976.2013.860244openalex-snapshot
Ionic solvation and association in LiCl aqueous solution: a density functional theory, polarised continuum model and molecular dynamics investigation
inferred← citeshttps://doi.org/10.1080/00268976.2013.875231openalex-snapshot
Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics
inferred← citeshttps://doi.org/10.1080/00319104.2011.590988openalex-snapshot
Molecular automation: a new kind of simulation applied to ionic solutions
inferred← citeshttps://doi.org/10.1088/0253-6102/60/5/14openalex-snapshot
Structural, Spectroscopic and Vibrational Properties for Low-Lying Electronic States of LiCl
inferred← citeshttps://doi.org/10.1088/1402-4896/ae3e2bopenalex-snapshot
Theoretical and experimental research on the solvation shell microstructure in saturated NaCl solution
inferred← citeshttps://doi.org/10.1098/rsta.2012.0482openalex-snapshot
Aqueous solutions: state of the art in ab initio molecular dynamics
inferred← citeshttps://doi.org/10.1149/1945-7111/ac44b9openalex-snapshot
Reducing the Self-Discharge Rate of Supercapacitors by Suppressing Electron Transfer in the Electric Double Layer
inferred← citeshttps://doi.org/10.21203/rs.3.rs-5177737/v1openalex-snapshot
How Ions and Pressure Affect Water Structure and Dynamics?
inferred← citeshttps://doi.org/10.2475/03.2015.02openalex-snapshot
A thermodynamic model of aqueous electrolyte solution behavior and solid-liquid equilibrium in the Li-H-Na-K-Cl-OH-H2O system to very high concentrations (40 molal) and from 0 to 250 C
inferred← citeshttps://doi.org/10.3390/molecules28217356openalex-snapshot
Raman Spectrum of the Li2SO4-MgSO4-H2O System: Excess Spectrum and Hydration Shell Spectrum
inferred← citeshttps://doi.org/10.48550/arxiv.1604.08892openalex-snapshot
First Observation of Electron Transfer Mediated Decay in Aqueous Solutions: A Novel Probe of Ion Pairing
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.