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Interatomic potential parameters (from the UFF force field) for the atoms in IGOs.
Firstly, we derived classical atomistic clay potential parameters from the electronic structure, calculated using quantum-mechanical density functional theory (DFT).
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A consistent methodology is presented for obtaining unique values for the Kihara potential parameters from gas hydrate data.
We chose classical 12-6 LJ representation according to UFF parameterization for Si and C atoms of SWSiCNTs [17], whereas for CO2, we used the LJ potential parameters from Ref. [5], and for CH4 and N2 from Ref. [18], which all LJ parameters here, are listed in Table 1.
For S. grandis, soil water treatments led to significant changes in the three key photosynthetic potential parameters derived from the light-response curves (P < 0.05, Figures 3e-h).
Action potential parameters: The rise time was measured as the time from the initiation of the action potential until the amplitude reached half of its maximal height.
Since many of these pairs have no observed direct interactions, the dominance potential parameters must be inferred from the transitivity relationships among the parameters.
The force field developed in this work is based on the interatomic potential derived by Oba et al. for ZnO, from which the potential parameters were fitted to the RS cubic structure [36].
The DNA-GA uses the DNA encoding method to represent the potential parameters and genetic operators inspired from the biological DNA are designed to find the global optimum.
Action potential parameters are given as the average over the first action potentials of a train.
Each Lennard-Jones potential parameter is estimated from the available experimental data on cohesive energies, relative lattice stabilities and lattice parameters of pure metals, and heat of formation and lattice parameters of stoichiometric compounds.
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