DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

Natalia Bedoya-Martínez^*, Benedikt Schrode, Andrew O.F. Jones, Tommaso Salzillo, Christian Ruzié, Nicola Demitri, Yves H. Geerts, Elisabetta Venuti, Raffaele Guido Della Valle, Egbert Zojer, Roland Resel