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QCMP165.QUADRUP: A Mössbauer Point-Charge Program for
Windows
by Enzo Calogero, Dipartimento di Chimica Fisica, Università, I-30123 Venezia, Italia QUADRUP is an improved version for Windows of QUADRUPOLE (QCPE 367). It calculates and plots the Mössbauer quadrupole splitting and asymmetry parameters in the framework of the point-charge model, i.e., for elements with filled or half- filled valence subshells. The program allows a quick selection of the Mössbauer isotope employed, of the site-coordination geometry and of the literature PQS values for the more common ligands in a fixed or variable coordination geometry. Numerical and graphic results can be directly printed or improved for better presentation by using such popular programs as, for example, PAINT, EXCEL etc. QUADRUP has been fully tested and succesfully employed in various arrangements for years. Lines of Code: 4100 Microsoft 3.0 |