To conduct calculations, many input parameters are required, complicating validation.
At the next level, using the Hartree-Fock (HF) method, we conducted calculations of the theoretical level.
Simplified Methods allow the engineer to conduct calculations by hand or with a minimum computational effort, including parametric variations.
We also conducted calculations for T p = 10 s, which resulted in similar misfit values to those for T p = 5 s.
Therefore, we conducted calculations on each configuration of defected hexagonal lattice of h-BN when the number of vacancy is odd (mono- and tri-vacancy).
To evaluate reaction progress corresponding to the amount of water infiltration, we conducted calculations with increasing amounts of water infiltration at constant P T condition of 300 °C and 0.2 GPa.
To evaluate reaction progress corresponding to P T changes, we conducted calculations along the retrograde P T path from 500 °C and 1.0 GPa for the following two end-member cases.
The conducted calculations indicate that demand-side programs can bring about the same results as the energy storage in the grids with a strong impact of distributed generation from variable renewable sources (V-RES).
As long as the heterogeneity is randomly distributed, which can be assumed for the here conducted calculations, it will not lead to a bias, i.e., the occurrence of systematic under-or overestimation of product toxicity.
In addition, we conducted calculations of population size based on multiple recaptures using two methods: the Fisher-Ford multiple recapture method [23] and the joint hypergeometric maximum likelihood estimator (JHE) [24] as implemented in the computer program NOREMARK [25].
