Foto del docente

Andrea Bottoni

Alma Mater Professor

Alma Mater Studiorum - Università di Bologna

Adjunct professor

Department of Chemistry "Giacomo Ciamician"

Publications

G.P. Miscione; S. Torroni; G. Innorta; A. Bottoni, Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study, «INORGANICA CHIMICA ACTA», 2007, 360, pp. 1170 - 1182 [Scientific article]

G.P.Miscione; M.Stenta; D.Spinelli; E.Anders; A.Bottoni, New computational evidence for the catalytic mechanism of carbonic anhydrase, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118, pp. 193 - 201 [Scientific article]

D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri, Stereoselective synthesis and conformational analysis of pseudo-heptapeptides. Part 5, «TETRAHEDRON-ASYMMETRY», 2007, 18, pp. 1448 - 1456 [Scientific article]

G. M. Almiento; D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi, Stereoselective synthesis and conformational analysis of unnatural tetrapeptides. Part 2, «TETRAHEDRON-ASYMMETRY», 2007, 18, pp. 2695 - 2711 [Scientific article]

Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 717 - 719 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]

Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Proline Racemase: a QM/MM Study, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 720 - 723 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]

M. A. Carvajal; G. P. Miscione; A. Accardi; J. J. Novoa; A. Bottoni, A DFT computational study of the mechanism of butadiene carbonylation catalyzed by palladium complexes, «MOLECULAR PHYSICS», 2006, 104, pp. 805 - 831 [Scientific article]

M. Bandini; A. Bottoni; P.G. Cozzi; G.P. Miscione; M. Monari; R. Pierciaccante; A. Umani Ronchi, Chiral boron C2-bis(oxazolines) in asymmetric catalysis. A combined experimental and theoretical study of the catalyzed enantioselective reduction of Ketones promoted by catecholborane., «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2006, 2006 issue 20, pp. 4596 - 4608 [Scientific article]

A. Bottoni; B. Cosimelli; E. Scavetta; D. Spinelli; R. Spisani; M. Stenta; D. Tonelli, Substituent effect on the electrochemical behaviour of some ortho-substituted (aryl)(2-nitrobenzo[b]thiophen-3-yl)amines. A combined experimental and computational study, «MOLECULAR PHYSICS», 2006, 104, pp. 2961 - 2982 [Scientific article]

D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri, Synthesis and conformational preferences of unnatural tetrapeptides containing L-valine units, «TETRAHEDRON-ASYMMETRY», 2006, 17, pp. 3273 - 3281 [Scientific article]

A. Bottoni; G. P. Miscione; M. A. Carvajal; J. Novoa, The Mechanism of Transition Metal Catalyzed Carbonylation of Allyl Halides. A Theoretical Investigation, «JOURNAL OF ORGANOMETALLIC CHEMISTRY», 2006, 691, pp. 4498 - 4507 [Scientific article]

G. de Petris; A. Cartoni; G. Angelini; O. Ursini; A. Bottoni; M. Calvaresi, The N3+ Reactivity in Ionized Gases Containing Sulfur, Nitrogen and Carbon Oxides”., «CHEMPHYSCHEM», 2006, 7, pp. 2105 - 2114 [Scientific article]

M. A. Carvajal; G. P. Miscione; J. J. Novoa; A. Bottoni, A DFT Computational Study of the Mechanism of Allyl Halides Carbonylation Catalyzed by Palladium Complexes, «ORGANOMETALLICS», 2005, 24, pp. 2086 - 2096 [Scientific article]

A. Bottoni; G. P. Miscione; M. De Vivo, A Theoretical DFT Investigation of the Lysozyme Mechanism. Computational Evidence for a Covalent Intermediate Pathway, «PROTEINS», 2005, 59, pp. 118 - 130 [Scientific article]

I.L.Hegedus; M.A.Sahai; M.Labadi; M.Szory; G.Paragi; B. Viskolcz; A.Bottoni, Selenocysteine derivatives I. Sidechain conformational potential energy surface of N-acetyl-L-selenocysteine-N-methylamide (MeCO-L-Sec-NH-Me) in its betaL backbone conformation, «JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM», 2005, 725, pp. 111 - 125 [Scientific article]