A new,practical method of computing mean amplitudes of vibration and perpendicular amplitude correction coefficients |
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| Affiliation: | 1. U.O.C. Laboratorio Analisi, Laboratory Medicine Dept., Ospedale dell''Angelo, ULSS 12 Veneziana, Mestre, Venezia, Italy;2. U.O. Laboratorio Analisi, Laboratory Medicine Dept., Azienda Socio-Sanitaria Territoriale di Cremona, Cremona, Italy;3. Fondazione CNR-Regione Toscana Gabriele Monasterio and Scuola Superiore Sant''Anna, Pisa, Italy;4. Laboratorio di Chimica Clinica ed Ematologia, Ospedale “San Bortolo”, Vicenza, Italy;5. Clinical Pathology, Hospital ASL TO4, Ciriè, Turin, Italy;6. U.O. Analisi Ormonali e Biologia Molecolare Clinica, Policlinico A. Gemelli, Università Cattolica del Sacro Cuore, Rome, Italy;7. Clinical Pathology Unit, IRCCS De Bellis, Castellana Grotte, Bari, Italy;8. Servizio di Medicina di Laboratorio, Ospedale Madonna della Navicella, Chioggia, Italy;9. S.C. Laboratorio Analisi, A.O. Ordine Mauriziano di Torino, Italy;10. QualiMedLab and CNR Clinical Physiology Institute, Pisa, Italy;11. U.O.C. Patologia Clinica, ASUR Marche Area Vasta 5, Ascoli Piceno, Italy |
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| Abstract: | A new approach for calculating mean amplitudes of vibration (u), perpendicular amplitude correction coefficients (K) - used in the calculation of Rα structures and shrinkage effects - and related quantities are presented. The method is based on an expansion of interatomic distances in terms of the cartesian displacement coordinates. This leads to a practical way of calculating the u and K values, which is convenient for computer solution. Only a short subroutine is necessary in addition to a normal coordinate program by W.D. Gwinn in order to perform these calculations. |
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