title: Applied computational chemistry.
authors.affiliation: Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040, Madrid, Spain. israel@quim.ucm.es.
authors.forename: Israel
authors.initials: I
authors.lastname: Fernández
authors.forename: Fernando P
authors.initials: FP
authors.lastname: Cossío