Raúl E. Valdés-Pérez Algorithm to Infer the Strucutres of Molecular Formulas within a Reaction Pathway. 1266-1278 1994 15 J. Comput. Chem. 11 db/journals/jcc/jcc15.html#Valdes-Pesrez94 https://doi.org/10.1002/jcc.540151108