Sfoglia per Autore
Recent developments of the SCVB method
2002 M. Sironi, M. Raimondi, R. Martinazzo, F.A. Gianturco, D.L. Cooper
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
Valence Bond Theory : determinantal methods
2003 M. Sironi, D.L. Cooper, M. Raimondi
Molecular dynamics simulation of aqueous solutions of glycine betaine
2003 M. Civera, A. Fornili, M. Sironi, S.L. Fornili
Molecular dynamics simulation of aqueous solutions of osmolytes
2003 S.L. Fornili, A. Fornili, M. Civera, M. Sironi
Molecular Dynamics Simulation of Aqueous Solutions of Trimethylamine-N-oxide and tert-Butyl Alcohol
2003 Arianna Fornili, Monica Civera, Maurizio Sironi, Sandro L. Fornili
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
Studio della dinamica e delle proprietà di frammenti sintetici di endostatina
2004 S. Pieraccini, M. Sironi, G. Speranza, P. Francescato, L.M. Vicentini, P.M. Manitto
Relaxing and Transferring Extremely Localized Molecular Orbitals
2004 A. Genoni, E. Burresi, M. Civera, A. Fornili, M. Sironi
A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital-valence bond method
2004 ALESSANDRO GENONI, MAURIZIO SIRONI
Determination of extremely localized molecular orbitals in the framework of density functional theory
2004 EMILIANO BURRESI, MAURIZIO SIRONI
Bioactivity of endostatin derived peptides and design of new potentially active units using molecular dynamics simulations
2005 S. Pieraccini, M. Sironi, G. Speranza, P. Francescato, P.M. Manitto
Studies on umami taste. Synthesis and structure-activity relationship of purine-5'-nucleotides as potential flavor enhancer
2005 P. Cairoli, G. Speranza, P. Francescato, C.F. Morelli, M. Sironi, S. Pieraccini, A. Genoni, P.M. Manitto
Molecular dynamics simulations of endostatin derived peptides
2005 S. Pieraccini, M. Sironi, P. Francescato, P. Cairoli, G. Speranza, P.M. Manitto
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
Modelling di processi enzimatici: simulazione a livello molecolare delle origini della regioselettività
2005 S. Pieraccini, M. Sironi, G. Colombo
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
2005 A. Genoni, A. Fornili, M. Sironi
Computational investigation of the nucleophilic reaction between methylthiolate and 4-bromo-3-methylamino-isothiazole 1,1-dioxide
2005 A. Contini, F. Clerici, M. Sironi, P. Trimarco
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation
2005 A. Genoni, M. Ghitti, S. Pieraccini, M. Sironi
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