A brief description of the ZIP archives:
===========================================

manuscript
	electron spreadsheets for metrics, electronics, energetic analysis, 
	electron correlation plots, and EndNote bibliographic library

BSSE counterpoise
	demonstrative example for estimation of the basis set superposition error
	using the most challenging level of theory (CCSD(T)) with manual set up of each 
	counterpoise calculation step

thermochemistry
	unedited output files for MN15+ calculations used to derive the most adequate
	formalism to connect molecular calculated and macroscopic measured methane
	binding energies

mCBS-QB3 (modified complete basis set composite method)
	output files for documenting the results of the mCBS-QB3 method, which we
	consider as the closest estimates of the total electron correlation correction
	to the HF reference wave function using MN15 equilibrium structures

geometric structures
	Xmol XYZ files of all structures discussed in the manuscript

blade model
	optimized structures at MN15 of a large maquette (curved blade) adsorbent 
	with C, B, and N binding sites of methane adsorption models

electronic structures
	cube files generated for spin density contour plots and electron density
	difference contour plots, MO diagram and frontier occupied and unoccupied 
	pi orbitals for C-MPh reference molecule


Additional information available, please feel free to contact us at
		 szilagyi@montana.edu 		or		 nstadie@montana.edu