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Assessment of the Approximate Non-Conformal Interaction Model for Fullerene Phase Behavior

https://doi.org/10.2139/ssrn.7156861
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Phase behavior of C60 by computer simulation using ab‐initio interaction potential
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Thermodynamic properties of fullerenes
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Specific heat of fullerenes extract
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The Yukawa potential
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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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Stability of Buckminsterfullerene, C60
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Vapour-liquid equilibrium of acetone-CO2 mixtures of different compositions at the vicinity of the critical point
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Effects of the repulsive and attractive forces on phase equilibrium and critical properties of two-dimensional non-conformal simple fluids
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Enthalpies of sublimation of fullerenes by thermogravimetry
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An isoperibol micro-bomb combustion calorimeter for measurement of the enthalpy of combustion. Application to the study of fullerene C60
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Vapour pressure of C60 by a transpiration method using a horizontal thermobalance
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Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water
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Chemical Reactions and Solvation at Liquid Interfaces: A Microscopic Perspective
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Vapor Pressure of C60 Buckminsterfullerene
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Heats of sublimation from a polycrystalline mixture of carbon clusters (C60 and C70)
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Confirmation of a vanishingly small ring-current magnetic susceptibility of icosahedral buckminsterfullerene
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Molecular dynamics simulations of solid buckminsterfullerenes
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Molecular properties of fullerene in the gas and solid phases
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Vaporization studies on buckminsterfullerene
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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Monte Carlo Simulation of the Phase Diagram of C60 Using Two Interaction Potentials. Enthalpies of Sublimation
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Phase Diagrams and Sublimation Enthalpies of Model Cn⩾60 Fullerenes: A Comparative Study by Computer Simulation
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Vapor−Liquid and Vapor−Solid Phase Equilibria of Fullerenes: The Role of the Potential Shape on the Triple Point
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Nonconformal Interaction Models and Thermodynamics of Polar Fluids
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Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n -Alkanes
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Accurate Effective Potentials and Virial Coefficients in Real Fluids. 1. Pure Noble Gases and Their Mixtures
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Solid C60: a new form of carbon
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Crystal structure and bonding of ordered C60
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Does C60 have a liquid phase?
inferredcites →https://doi.org/10.1039/a905777copenalex-snapshot
Accurate effective potentials and virial coefficients in real fluids Part II. Pure homodiatomics and their mixtures
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Accurate effective potentials and virial coefficients in real fluids. Part III. Alkanes and perfluoroalkanes
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Accurate effective potentials and virial coefficients in real fluids Part IV. Heterodiatomic and polyatomic substances with permanent multipoles and their mixtures with noble gases
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Computer simulation of a gas–liquid surface. Part 1
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Enthalpies of formation of buckminsterfullerene (C60) and of the parent ions C60 +, C60 2+, C60 3+ and C60 ?
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Vapor pressure of Buckminsterfullerene
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Free energy determination of phase coexistence in model C60: A comprehensive Monte Carlo study
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Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids
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Perturbation Theory and Equation of State for Fluids. II. A Successful Theory of Liquids
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Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface
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A general perturbation approach for equation of state development: Applications to simple fluids, ab initio potentials, and fullerenes
inferredcites →https://doi.org/10.1063/1.3081140openalex-snapshot
Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials
inferredcites →https://doi.org/10.1063/1.3638099openalex-snapshot
Thermodynamic properties of the two higher fullerites C[sub 70] and C[sub 96] along the liquid-vapor coexistence curve
inferredcites →https://doi.org/10.1063/1.450397openalex-snapshot
Self-consistent integral equations for fluid pair distribution functions: Another attempt
inferredcites →https://doi.org/10.1063/1.467433openalex-snapshot
Ultraviolet-visible absorption spectrum of C60 vapor and determination of the C60 vaporization enthalpy
inferredcites →https://doi.org/10.1063/1.473192openalex-snapshot
A Gibbs ensemble Monte Carlo study of phase coexistence in model C60
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Monte Carlo simulation study of the high-temperature phase diagram of model C60 molecules
inferredcites →https://doi.org/10.1063/1.481867openalex-snapshot
Phase diagram of C60 from ab initio intermolecular potential
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Coarse-grain molecular dynamics study of fullerene transport across a cell membrane
inferredcites →https://doi.org/10.1063/1.4953002openalex-snapshot
Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids
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Perspective: Machine learning potentials for atomistic simulations
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Thermodynamic properties of C60and C70fullerenes
inferredcites →https://doi.org/10.1080/00268970310001605732openalex-snapshot
A model for viscosity coefficients of gases with potentials differing in form
inferredcites →https://doi.org/10.1080/00268970902881979openalex-snapshot
Surface tension, shear viscosity and isothermal compressibility of liquid C60along the liquid-vapour coexistence
inferredcites →https://doi.org/10.1080/00319100903096521openalex-snapshot
Comprehensive study of the thermodynamic properties of fullerene C 60 along the liquid–vapour coexistence
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The Model Calculation of the Phase (P-T) Diagram for Fullerene C60
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LII. The viscosity of gases and molecular force
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Structural and thermodynamic properties of NFE liquid metals and binary alloys
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Third virial coefficient of nonpolar gases from accurate binary potentials and ternary forces
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A double Yukawa potential for the van der Waals interaction of molecules: application to a determination of the critical temperature
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Monte Carlo methods for phase equilibria of fluids
inferredcites →https://doi.org/10.1088/0953-8984/14/40/311openalex-snapshot
Beware of density dependent pair potentials
inferredcites →https://doi.org/10.1088/0953-8984/14/9/307openalex-snapshot
Phase behaviour of model fluids interacting through short-range forces
inferredcites →https://doi.org/10.1088/0953-8984/17/28/002openalex-snapshot
A model equation of state of liquid C60and thermodynamic properties along the liquid–vapour coexistence curve
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The dependence of the phase diagram on the range of the attractive intermolecular forces
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Simulation studies of fluid critical behaviour
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Correlations in the Motion of Atoms in Liquid Argon
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Machine learning interatomic potential for simulations of carbon at extreme conditions
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Corrections to Scaling Laws
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High-temperature phase diagram of the fullerene C60
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Modified-hypernetted-chain determination of the phase diagram of rigid C60 molecules
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C60 sphase diagram: A full free-energy analysis
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Molecular-dynamics study of the Girifalco-model C60 at two high-temperature isotherms
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Differential theory of fluids below the critical temperature: Study of the Lennard-Jones fluid and of a model of C60
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Density functional theory for the phase diagram of rigid C60 molecules
inferredcites →https://doi.org/10.1103/physreve.68.021104openalex-snapshot
Theoretical description of phase coexistence in model C60
inferredcites →https://doi.org/10.1103/physreve.69.031112openalex-snapshot
Atomistic versus two-body central potential models of C60: A comparative molecular dynamics study
inferredcites →https://doi.org/10.1103/physrevlett.71.1200openalex-snapshot
Prediction of the phase diagram of rigid C60 molecules
inferredcites →https://doi.org/10.1103/physrevlett.79.3873openalex-snapshot
First-Principles Determination of the Dispersion Interaction between Fullerenes and Their Intermolecular Potential
inferredcites →https://doi.org/10.1103/revmodphys.25.831openalex-snapshot
Virial Coefficients and Models of Molecules in Gases
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Third Virial Coefficient for the Sutherland ( ∞, ν ) Potential
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Fluid Fullerite
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Accurate determination of the phase diagram of model fullerenes
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