FORNILI, ARIANNA
FORNILI, ARIANNA
DIPARTIMENTO DI CHIMICA FISICA ED ELETTROCHIMICA (attivo dal 01/11/1982 al 26/04/2012)
Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach
2007 P.F. Loos, A. Fornili, M. Sironi, X. Assfeld
Frozen core orbitals as an alternative to specific frontier bond potential in hybrid quantum mechanics/molecular mechanics methods
2006 A. Fornili, P. F. Loos, M. Sironi, X. Assfeld
On the suitability of strictly localized orbitals for hybrid QM/MM calculations
2006 A. Fornili, Y. Moreau, M. Sironi, X. Assfeld
DENPOL: a program to determine ab initio quality electron densities for polypeptides
2005 M. Ghitti, A. Genoni, M. Civera, A. Fornili, S. Pieraccini, M. Sironi
Reazioni stereoselettive al carbonio acetalico di 4-alchil e 4-aril-5-trfluorometil-1-3-diossolani 2-sostituiti
2005 C.F. Morelli, A. Fornili, M. Sironi, G. Speranza, P.M. Manitto
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
2005 A. Genoni, A. Fornili, M. Sironi
Relaxing and Transferring Extremely Localized Molecular Orbitals
2004 A. Genoni, E. Burresi, M. Civera, A. Fornili, M. Sironi
Molecular dynamics simulation of aqueous solutions of osmolytes
2003 S.L. Fornili, A. Fornili, M. Civera, M. Sironi
Determination of extremely localized molecular orbitals and their application to quantum mechanics/molecular mechanics methods and to the study of intramolecular hydrogen bonding
2003 A. Fornili, M. Sironi, M. Raimondi
Regio- and diastereoselectivity in TiCl4-promoted reduction of 2-aryl-substituted cis-4-methyl-5-trifluoromethyl-1,3-dioxolanes
2002 C. Morelli, A. Fornili, M. Sironi, L. Duri, G. Speranza, P. Manittoa