Supporting Information for the article "Enhanced formation of interstellar complex organic molecules on carbon monoxide ice"

Chemical models ("Models.pkl") and structures (*.xyz files, figures 2 and 3) supporting the calculations presented in the article : "Enhanced formation of interstellar complex organic molecules on carbon monoxide ice" The chemical models are stored as a dictionary of dictionaries with the following name per model:<br> <br> e_XXXX_T_YYYY_CR_ZZZZ where XXXX are the values of the epsilon parameter (see original article) sampled for \epsilon=0.5 and \epsilon=1.0 (additionally we release models with \epsilon=0.40, 0.45, 0.55, 0.60, 0.65, not discussed in the original article), YYYY is the dust temperature sampled within np.linspace(8,18, 26) and ZZZZ is the cosmic ray ionization rate, sampled within np.logspace(-18, -15, 22).<br> <br> To open the chemical models, prepare a python script of the type: ++++<br> import pickle<br> <br> def ice(dictionary, name, species): #Similar functions for gas molecules or surface molecules can be defined<br> gas = dictionary[name][f"{species}"]<br> surface = dictionary[name]["J"+f"{species}"+"(1)"]<br> mantle = dictionary[name]["K"+f"{species}"+"(1,1)"]<br> return surface + mantle <br> Data = read_pkl_file('Models.pkl')<br> name = "e_1.00_T_10.0_CR_1.00e-17" #as an example<br> time = ice(Data, name, "Time")<br> CO= ice(Data, name, "CO") print(CO)<br> ++++ <br> Legend for large COMs: Y=CH2OH, X=CH3O, Q=NH2, M=CH2. Please check the reaction network in https://iopscience.iop.org/article/10.1088/0004-637X/765/1/60 for further details. <br> Version 1.0: Revision release, including chemical models and cartesian coordinates supporting Figures 2 and 3 of the manuscript.<br> <br> If you request further data, please do not hesitate to contact us.