.mol and .pot input files and logs to use with DALTON to reproduce the numbers used in this studym1: (+)-isoterreinm2: (-)-terreinm3: (+)-isoterreinm4: (-)-terreinThe snapshots are numbered according
Title of program: SELECT Catalogue Id: AALP_v1_0 Nature of problem SELECT selects basis sets for TRIATOM. Versions of this program held in the CPC repository in Mendeley Data AALP_v1_0; SELE
The oxorhenium(V) complexes [ReVO(LA)Cl2] bearing the (N-2-pyridylmethyl) of l-valine (HLA1), l-leucine (HLA2), and l-phenylalanine (HLA3) and [ReVO(LB)Cl] containing the {(N-2pyridylmethyl)-(N-(5-nit
