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The molecular dynamics simulation of hydrogen bonding in supercritical water
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Correlation of diffusion coefficients in dilute solutions
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Diffusion and mass transfer in supercritical fluids
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Über die von der molekularkinetischen Theorie der Wärme geforderte Bewegung von in ruhenden Flüssigkeiten suspendierten Teilchen
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Properties of Liquids and Gases
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Hydrogen Production by Steam Reforming Glucose in Supercritical Water
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Application of the Taylor dispersion method in supercritical fluids
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The pair-correl.Ation functions of water at a pressure of 1 000 bar in the temperature range 25–500°C
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VMD: Visual molecular dynamics
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Diffusion in supercritical fluids
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The fate of nitrogen in supercritical-water oxidation
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Catalytic conversion of bio-oil in supercritical water: Influence of RuO2/γ-Al2O3 catalysts on gasification efficiencies and bio-methane production
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High-yield synthesis of dimethyl carbonate from the direct alcoholysis of urea in supercritical methanol
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Determination of diffusion coefficients for supercritical fluids
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Gasification of fruit wastes and agro-food residues in supercritical water
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Hydrogen production from glycerol by reforming in supercritical water over Ru/Al2O3 catalyst
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Municipal waste leachate conversion via catalytic supercritical water gasification process
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Supercritical fluids: technology and application to food processing
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Dynamics in hydrogen bonded liquids: water and alcohols
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The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa
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Impact of urea on water structure: a clue to its properties as a denaturant?
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Diffusion coefficients in supercritical fluids: available data and graphical correlations
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Supercritical fluid extraction and fractionation of essential oils and related products
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Oxidation kinetics for methane/methanol mixtures in supercritical water
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Roles of Water for Chemical Reactions in High-Temperature Water
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P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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Fundamental kinetics of methane oxidation in supercritical water
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Hydrogen production by steam reforming glucose in supercritical water
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Determination of Binary Diffusion Coefficients of Anisole, 2,4-Dimethylphenol, and Nitrobenzene in Supercritical Carbon Dioxide
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Hydrogen Production by Methanol Reforming in Supercritical Water: Suppression of Methane Formation
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Molecular Dynamics Simulations of 2 m Aqueous Urea Solutions
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The missing term in effective pair potentials
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Molecular dynamics study of solvation in urea water solution
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Urea’s Action on Hydrophobic Interactions
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Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
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Engineering a Molecular Model for Water Phase Equilibrium over a Wide Temperature Range
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Hydrogen-bond kinetics in liquid water
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Supercritical fluids as solvents for chemical and materials processing
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Interfaces and the driving force of hydrophobic assembly
inferredcites →https://doi.org/10.1038/ncomms2459openalex-snapshot
Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water
inferredcites →https://doi.org/10.1039/b418934eopenalex-snapshot
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII
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Determining the shear viscosity of model liquids from molecular dynamics simulations
inferredcites →https://doi.org/10.1063/1.458652openalex-snapshot
Molecular-dynamics simulation of aqueous mixtures: Methanol, acetone, and ammonia
inferredcites →https://doi.org/10.1063/1.464521openalex-snapshot
Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations
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A computer simulation study of the liquid–vapor coexistence curve of water
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X-ray scattering in liquid water at pressures of up to 7.7 kbar: Test of a fluctuation model
inferredcites →https://doi.org/10.1063/1.469505openalex-snapshot
Molecular dynamics simulation of the orthobaric densities and surface tension of water
inferredcites →https://doi.org/10.1063/1.474242openalex-snapshot
Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation
inferredcites →https://doi.org/10.1063/1.478593openalex-snapshot
Analysis of the hydrogen bonding and vibrational spectra of supercritical model water by molecular dynamics simulations
inferredcites →https://doi.org/10.1073/pnas.0606538103openalex-snapshot
Effect of urea on the structural dynamics of water
inferredcites →https://doi.org/10.1073/pnas.0610945104openalex-snapshot
Hydrophobic interaction and hydrogen-bond network for a methane pair in liquid water
inferredcites →https://doi.org/10.1080/002689798169195openalex-snapshot
A new order parameter for tetrahedral configurations
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Theoretical modeling of geochemical fluids under high-pressure, high-temperature conditions
inferredcites →https://doi.org/10.1103/physreve.49.359openalex-snapshot
Transverse-current autocorrelation-function calculations of the shear viscosity for molecular liquids
inferredcites →https://doi.org/10.1103/physrevlett.85.3245openalex-snapshot
Hydrogen Bonding and Dipole Moment of Water at Supercritical Conditions: A First-Principles Molecular Dynamics Study
inferredcites →https://doi.org/10.1126/science.1092787openalex-snapshot
An ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface
inferredcites →https://doi.org/10.1126/science.1096205openalex-snapshot
The Structure of the First Coordination Shell in Liquid Water
inferredcites →https://doi.org/10.1209/epl/i1998-00240-xopenalex-snapshot
The partial pair correlation functions of dense supercritical water
inferredcites →https://doi.org/10.2138/rmg.2001.42.4openalex-snapshot
Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Experimental investigation on kinetic model with reaction heat for coal gasification in supercritical water
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Experimental investigation on the supercritical water gasification of coal by integrating the hydrogen oxidation process into a supercritical water fluidized bed
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Study on the movement and deposition of particles in supercritical water
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Molecular dynamic investigation on sulfur migration during hydrogen production by benzothiophene gasification in supercritical water
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Integration of hydrothermal gasification with biorefinery processes for efficient production of biofuels and biochemicals
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A critical review of the influence of supercritical water on the pyrolysis of plastic waste: Modelling approaches and process effects
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Review on metal dissolution characteristics and harmful metals recovery from electronic wastes by supercritical water
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Phase separation in the supercritical mixtures of N2, H2O and CO2 through a molecular dynamics study
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Exploring detailed microcosmic mechanisms of sodium chloride deposition in supercritical water reactors from the aspect of solvation structure: A combination of MD and QM simulations
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Molecular dynamics simulations on salt deposition and nucleation in supercritical water
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A theoretical study of the photochemistry of 1,3-cyclopentadiene and its cyano derivatives bound to a water dimer: Assessing reactivity of ionized clusters and possible photoproducts
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Impact of Sacrificial Hydrogen Bonds on the Structure and Properties of Rubber Materials: Insights from All-Atom Molecular Dynamics Simulations
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