To use AutoChem to perform atmospheric modeling all that is required is the selection of list of chemical constituents in a control file called specie.d . The first line of the file explains the meaning of the entries. Each subsequent line is taken as a separate record which says if the constituent is to be time integrated or not, gives the constituent's name as it appears in the reaction databases, and how the constituent's name is written in LaTeX. The LaTeX name is used in the automatic document generation. An example is shown below:
specie flag: 1=integrated, 2=not integrated.
1 'O(1D) ' 'O(^1D) '
1 'O(3P) ' 'O(^3P) '
1 'O3 ' 'O_3 '
1 'N ' 'N '
1 'NO ' 'NO '
1 'NO2 ' 'NO_2 '
1 'NO3 ' 'NO_3 '
1 'N2O5 ' 'N_2O_5 '
1 'HONO2 ' 'HNO_3 '
1 'HO2NO2 ' 'HO_2NO_2 '
1 'Cl ' 'Cl '
1 'Cl2 ' 'Cl_2 '
1 'ClO ' 'ClO '
1 'ClOO ' 'ClOO '
1 'OClO ' 'OClO '
1 'Cl2O2 ' 'Cl_2O_2 '
1 'ClNO2 ' 'ClNO_2 '
1 'ClONO2 ' 'ClONO_2 '
1 'HCl ' 'HCl '
1 'HOCl ' 'HOCl '
1 'Br ' 'Br '
1 'Br2 ' 'Br_2 '
1 'BrO ' 'BrO '
1 'BrONO2 ' 'BrONO_2 '
1 'BrONO ' 'BrONO '
1 'HBr ' 'HBr '
1 'HOBr ' 'HOBr '
1 'BrCl ' 'BrCl '
1 'H2 ' 'H_2 '
1 'H ' 'H '
1 'OH ' 'OH '
1 'HO2 ' 'HO_2 '
1 'H2O2 ' 'H_2O_2 '
1 'CH3 ' 'CH_3 '
1 'MeO ' 'CH_3O '
1 'MeOO ' 'CH_3O_2 '
1 'MeOOH ' 'CH_3OOH '
1 'HCO ' 'HCO '
1 'HCHO ' 'HCHO '
1 'CH4 ' 'CH_4 '
1 'CH3Br ' 'CH_3Br '
1 'CF2Cl2 ' 'CF_2Cl_2 '
1 'CO ' 'CO '
1 'N2O ' 'N_2O '
1 'CO2 ' 'CO_2 '
1 'H2O ' 'H_2O '
2 'O2 ' 'O_2 '
2 'N2 ' 'N_2 '
2 'HClS ' 'HCl_{(S)} '
2 'H2OS ' 'H_2O_{(S)} '
2 'HONO2S ' 'HNO_{3(S)} '
2 'Photon ' 'h\nu '
2 'm ' 'M '