FORNILI, ARIANNA

FORNILI, ARIANNA  

DIPARTIMENTO DI CHIMICA FISICA ED ELETTROCHIMICA (attivo dal 01/11/1982 al 26/04/2012)  

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Titolo Data di pubblicazione Autori Tipo File Abstract
DENPOL: a program to determine ab initio quality electron densities for polypeptides 2005 MICHELA GHITTIALESSANDRO GENONIMONICA CIVERAARIANNA FORNILISTEFANO PIERACCINIMAURIZIO SIRONI Book Part (author) -
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. ForniliM. SironiM. Raimondi Article (author) -
Frozen core orbitals as an alternative to specific frontier bond potential in hybrid quantum mechanics/molecular mechanics methods 2006 A. ForniliM. Sironi + Article (author) -
Molecular dynamics simulation of aqueous solutions of osmolytes 2003 S.L. ForniliA. ForniliM. CiveraM. Sironi Book Part (author) -
On the suitability of strictly localized orbitals for hybrid QM/MM calculations 2006 A. ForniliM. Sironi + Article (author) -
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 2005 A. GenoniA. ForniliM. Sironi Article (author) -
Reazioni stereoselettive al carbonio acetalico di 4-alchil e 4-aril-5-trfluorometil-1-3-diossolani 2-sostituiti 2005 CARLO F. MORELLIFORNILI, ARIANNAMAURIZIO SIRONIGIOVANNA SPERANZAPAOLO MANITTO Book Part (author) -
Regio- and diastereoselectivity in TiCl4-promoted reduction of 2-aryl-substituted cis-4-methyl-5-trifluoromethyl-1,3-dioxolanes 2002 C. MorelliA. ForniliM. SironiL. DuriG. SperanzaP. Manittoa Article (author) -
Relaxing and Transferring Extremely Localized Molecular Orbitals 2004 ALESSANDRO GENONIBURRESI, EMILIANOMONICA CIVERAARIANNA FORNILIMAURIZIO SIRONI Book Part (author) -
Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach 2007 A. ForniliM. Sironi + Article (author) -