BOTTONI, ANDREA
BOTTONI, ANDREA
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
3-Bromozinc Propenyl Esters: an Experimental and Theoretical Study of the Unique Stereocrossover Observed in their Addition to Aromatic and Aliphatic Aldehydes
2008 A. Bottoni; M. Lombardo; G. P. Miscione; J. B. Pujol Alguè; C. Trombini
A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst
2009 A. Bottoni; M. Calvaresi; V. Bertolasi; F. Capitelli; M. A. M. Capozzi; C. Cardellicchio; F. Naso
A DFT Computational Study of the Mechanism of Allyl Halides Carbonylation Catalyzed by Palladium Complexes
2005 M. A. Carvajal; G. P. Miscione; J. J. Novoa; A. Bottoni
A DFT computational study of the mechanism of butadiene carbonylation catalyzed by palladium complexes
2006 M. A. Carvajal; G. P. Miscione; A. Accardi; J. J. Novoa; A. Bottoni
A dichotomy in the enantioselective oxidation of aryl benzyl sulfides: A combined experimental and computational work
2018 Capozzi, Maria Annunziata M.; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo
A Full QM Computational Study of the Catalytic Mechanism of α-1,4-Glucan Lyases
2018 Lara Campesato, Tainah Dorina Marforio, Pietro Giacinto, Matteo Calvaresi, Andrea Bottoni
A Mechanistic Insight into the Cu(II)-Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation
2019 Bottoni A.; Calvaresi M.; Marforio T.D.; Miscione G.P.
A mechanistic insights into manganese-catalyzed oxidative homocoupling reactions of Grignard reagents: A computational DFT investigation
2016 Bottoni, Andrea; Cahiez, Gerard; Calvaresi, Matteo; Moyeux, Alban; Giacinto, Pietro; Miscione, Gian Pietro
A Theoretical DFT Investigation of the Lysozyme Mechanism. Computational Evidence for a Covalent Intermediate Pathway
2005 A. Bottoni; G. P. Miscione; M. De Vivo
A Theoretical Investigation on the Oxidation States of Palladium Complexes and their Role in Carbonylation Reaction
2010 A. Bottoni; M. A.Carvajal; G.P. Miscione; J. J. Novoa
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
2007 P. Altoè; M. Stenta; A. Bottoni; M. Garavelli
Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium
2018 Fermani, Simona*; Calvaresi, Matteo; Mangini, Vincenzo; Falini, Giuseppe; Bottoni, Andrea; Natile, Giovanni; Arnesano, Fabio
Allylic and Allenylic Dearomatization of Indoles promoted by Graphene Oxide via Covalent Grafting Activation Mode
2020 Lorenzo Lombardi, Daniele Bellini, Andrea Bottoni, Matteo Calvaresi, Magda Monari, Alessandro Kovtun, Vincenzo Palermo, Manuela Melucci, Marco Bandini
An Unexpected Pathway to Enantiomerization of Hemithioketals in Toluene Involving a Dimeric Transition State: A Combined Experimental and Computational Study
2015 Bottoni, Andrea; Calvaresi, Matteo; Cosimelli, Barbara; Mazzanti, Andrea; Rambaldi, Mirella; Spinelli, Domenico
Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation
2017 Marforio, Tainah Dorina; Bottoni, Andrea; Giacinto, Pietro; Zerbetto, Francesco; Calvaresi, Matteo
Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation
2010 M. Bandini; A. Bottoni; A. Eichholzer; G. P. Miscione; M. Stenta
Binding and recognition mechanisms of the human tyrosylprotein sulfotransferase isoform-2 (TPST-2) towards its natural ligands. A computational investigation.
2021 Andrea Bottoni, Matteo Calvaresi, Tainah Dorina Marforio, Edoardo Jun Mattioli
Blocking the passage: C60 geometrically clogs K+ channels
2015 Calvaresi M; Furini S; Domene C; Bottoni A; Zerbetto F.
C-CN vs C-H activation: Actual mechanism of the reaction between [(dippe)PtH]2 and benzonitrile evidenced by a DFT computational investigation
2014 Miscione, Gian Pietro; Bottoni, Andrea
C60@Lysozyme: Direct Observation by Nuclear Magnetic Resonance of a 1:1 Fullerene Protein Adduct
2014 M. Calvaresi; F. Arnesano; S. Bonacchi; A. Bottoni; V. Calo`; S Conte; G Falini; S Fermani; M Losacco; M Montalti; G. Natile; L. Prodi; F. Sparla; F. Zerbetto