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Calculation of the Interaction Potential Curve between Asphaltene−Asphaltene, Asphaltene−Resin, and Resin−Resin Systems Using Density Functional Theory

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Density functional theory and molecular clusters
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Investigation of the Structure of Petroleum Asphaltenes by X-Ray Diffraction
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Molecular View of the Asphaltene Aggregation Behavior in Asphaltene−Resin Mixtures
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Stability and Aggregation of Asphaltenes in Asphaltene−Resin−Solvent Mixtures
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Morphology of Aggregated Asphaltene Structural Models
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Molecular Recognition and Molecular Mechanics of Micelles of Some Model Asphaltenes and Resins
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Molecular Recognition in Aggregates Formed by Asphaltene and Resin Molecules from the Athabasca Oil Sand
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Molecular Size and Structure of Asphaltenes from Various Sources
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Asphaltic Bitumen as Colloid System.
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Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer
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Ab Initio Study of Interlayer Interaction of Graphite: Benzene−Coronene and Coronene Dimer Two-layer Models
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HOMO−LUMO Gap as an Index of Molecular Size and Structure for Polycyclic Aromatic Hydrocarbons (PAHs) and Asphaltenes: A Theoretical Study. I
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Stabilization Energies of the Hydrogen-Bonded and Stacked Structures of Nucleic Acid Base Pairs in the Crystal Geometries of CG, AT, and AC DNA Steps and in the NMR Geometry of the 5‘-d(GCGAAGC)-3‘ Hairpin: Complete Basis Set Calculations at the MP2 and CCSD(T) Levels
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Potential Energy Surface for the Benzene Dimer. Results of ab Initio CCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced
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Solvation of Cu2+ in Liquid Ammonia: Monte Carlo Simulation Including Three-Body Corrections
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Asphaltene Molecular Size and Structure
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From molecules to solids with the DMol3 approach
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Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model
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Molecular beam studies of benzene dimer, hexafluorobenzene dimer, and benzene–hexafluorobenzene
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Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene
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An all-electron numerical method for solving the local density functional for polyatomic molecules
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The rotational spectrum, structure and dynamics of a benzene dimer
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Intermolecular Raman bands in the ground state of benzene dimer
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A quantum chemistry study of benzene dimer
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INTERACTION ENERGY IN MAYA-OIL ASPHALTENES: A MOLECULAR MECHANICS STUDY
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INTERMOLECULAR FORCES IN AGGREGATES OF ASPHALTENES AND RESINS
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Docking of An Asphaltene Molecular Model on A Fe2O3Surface, An Ab Initio Simulated Annealing
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Simplified method for calculating the energy of weakly interacting fragments
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Accurate and simple analytic representation of the electron-gas correlation energy
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Consequences of the stick-slip movement for the scanning force microscopy imaging of graphite
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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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The Chemistry and Technology of Petroleum
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Intermolecular Potential Function for Copper (II)-Water Based on ab initio Calculations

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Effect of the heteroatom presence in different positions of the model asphaltene structure on the self-aggregation: MD and DFT study
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