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Theoretical Study of Adsorption Sites on the (001) Surfaces of 1:1 Clay Minerals

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What this work says

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

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Ab initio density functional theory applied to the structure and proton dynamics of clays
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Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts
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Monte Carlo Simulations of Surface Hydration: An Application to Clay Wetting
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Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
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Interaction of Acetate Anion with Hydrated Al3+ Cation: A Theoretical Study
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Molecular Dynamics Modeling of Clay Minerals. 1. Gibbsite, Kaolinite, Pyrophyllite, and Beidellite
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Adsorption of 1,3,5-Trinitrobenzene on the Siloxane Sites of Clay Minerals: Ab Initio Calculations of Molecular Models
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Structure of liquids at a solid interface: an application to the swelling of clay by water
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Modeling the clay-water interface
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Cluster Quantum Chemical Study of Triaminotoluene Interaction with a Model Clay Surface
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Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
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Transformation of Adsorbed Water on Solid Surfaces and its Dielectric Losses and Conductivities
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Fully optimized contracted Gaussian basis sets for atoms Li to Kr
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Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling
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Ab-initio total energy study of uncharged 2:1 clays and their interaction with water
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Computer simulation evidence for enthalpy driven dehydration of smectite clays at elevated pressures and temperatures
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A Monte Carlo study of water at an uncharged clay surface
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Computer simulation of aqueous pore fluids in 2:1 clay minerals
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Ammonia Volatilization from Flooded Soil Systems: A Computer Model. I. Theoretical Aspects
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Orientation of OH groups in kaolinite and dickite: Ab initio molecular dynamics study

What points at this work

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

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