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Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates

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What this work says

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

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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Hydrogen bonding and vibrational properties of hydroxy groups in the crystal lattice of dioctahedral clay minerals by means of first principles calculations
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Molecular models and simulations of layered materials
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A local mode potential function for the water molecule
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SORPTION OF PHENOXYACETIC ACID HERBICIDES ON THE KAOLINITE MINERAL SURFACE – AN AB INITIO MOLECULAR DYNAMICS SIMULATION
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Free energy of liquid water on the basis of quasichemical theory andab initiomolecular dynamics
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Formation of 2,4–D complexes on montmorillonites – an ab initio molecular dynamics study
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Crystal Structures of Clay Minerals and their X-Ray Identification
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Infrared Study of Water Sorption on Na-, Li-, Ca-, and Mg-Exchanged (SWy-1 and SAz-1) Montmorillonite
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Ab initio calculations of relative stabilities of different structural arrangements in dioctahedral phyllosilicates
inferredcites →https://doi.org/10.2138/am-2003-11-1219openalex-snapshot
Isomorphous cation substitution in dioctahedral phyllosilicates by means of ab initio quantum mechanical calculations on clusters

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

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A Molecular Dynamics Simulation Study of Hydroxyls in Dioctahedral Phyllosilicates
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