CRIS Current Research Information System

Sfoglia per Autore  

Opzioni
Mostrati risultati da 1 a 20 di 93
Titolo Autore(i) Anno Periodico Editore Tipo File
Diastereoselective Synthesis of Thieno(3',2':4,5)cyclopenta(1,2-d)(1,3)-oxazolines-New Ligands for the Copper-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Enones BONINI B.F.; CAPITO' E.; COMES-FRANCHINI M.; RICCI A.; BOTTONI A.; BERNARDI F.; MISCIONE G.P.; GI...ORDANO L.; COWLEY A.R. 2004-01-01 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY - 1.01 Articolo in rivista -
New Model for a Theoretical Density Functional Theory Investigation of the Mechanism of the Carbonic Anhydrase: How Does the Internal Bicarbonate Rearrangement Occur? A. BOTTONI; C. Z. LANZA; G. P. MISCIONE; SPINELLI D. 2004-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
Convergent results from experimental and theoretical DFT studies of the intramolecular rearrangement of Z-hydrazones of 3-acetyl-1,2,4-oxadiazoles A. BOTTONI; V. FRENNA; C. Z. LANZA; G. MACALUSO; SPINELLI D. 2004-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
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 I.L.Hegedus; M.A.Sahai; M.Labadi; M.Szory; G.Paragi; B. Viskolcz; A.Bottoni 2005-01-01 JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM - 1.01 Articolo in rivista -
A Theoretical DFT Investigation of the Lysozyme Mechanism. Computational Evidence for a Covalent Intermediate Pathway A. Bottoni; G. P. Miscione; M. De Vivo 2005-01-01 PROTEINS - 1.01 Articolo in rivista -
A DFT Computational Study of the Mechanism of Allyl Halides Carbonylation Catalyzed by Palladium Complexes M. A. Carvajal; G. P. Miscione; J. J. Novoa; A. Bottoni 2005-01-01 ORGANOMETALLICS - 1.01 Articolo in rivista -
Synthesis and conformational preferences of unnatural tetrapeptides containing L-valine units D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri 2006-01-01 TETRAHEDRON-ASYMMETRY - 1.01 Articolo in rivista -
The N3+ Reactivity in Ionized Gases Containing Sulfur, Nitrogen and Carbon Oxides”. G. de Petris; A. Cartoni; G. Angelini; O. Ursini; A. Bottoni; M. Calvaresi 2006-01-01 CHEMPHYSCHEM - 1.01 Articolo in rivista -
Chiral boron C2-bis(oxazolines) in asymmetric catalysis. A combined experimental and theoretical study of the catalyzed enantioselective reduction of Ketones promoted by catecholborane. M. Bandini; A. Bottoni; P.G. Cozzi; G.P. Miscione; M. Monari; R. Pierciaccante; A. Umani Ronchi 2006-01-01 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY - 1.01 Articolo in rivista -
Substituent effect on the electrochemical behaviour of some ortho-substituted (aryl)(2-nitrobenzo[b]thiophen-3-yl)amines. A combined experimental and computational study A. Bottoni; B. Cosimelli; E. Scavetta; D. Spinelli; R. Spisani; M. Stenta; D. Tonelli 2006-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista -
A DFT computational study of the mechanism of butadiene carbonylation catalyzed by palladium complexes M. A. Carvajal; G. P. Miscione; A. Accardi; J. J. Novoa; A. Bottoni 2006-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista -
The Mechanism of Transition Metal Catalyzed Carbonylation of Allyl Halides. A Theoretical Investigation A. Bottoni; G. P. Miscione; M. A. Carvajal; J. Novoa 2006-01-01 JOURNAL OF ORGANOMETALLIC CHEMISTRY - 1.01 Articolo in rivista -
Stereoselective synthesis and conformational analysis of unnatural tetrapeptides. Part 2 G. M. Almiento; D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi 2007-01-01 TETRAHEDRON-ASYMMETRY - 1.01 Articolo in rivista -
Isotope Exchange in Disulfur Monoxide-Water Charged Complexes: a Mass Spectrometric and Computational Study G. de Petris; A. Troiani; G. Angelini; O. Ursini; A. Bottoni; M. Calvaresi 2007-01-01 JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY - 1.01 Articolo in rivista -
COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems? Matteo Calvaresi; Andrea Bottoni; Marco Garavelli 2007-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
New computational evidence for the catalytic mechanism of carbonic anhydrase G.P.Miscione; M.Stenta; D.Spinelli; E.Anders; A.Bottoni 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
The Catalytic Activity of Proline Racemase: a QM/MM Study Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems Altoè, P.; Stenta, Marco; Bottoni, Andrea; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Stereoselective synthesis and conformational analysis of pseudo-heptapeptides. Part 5 D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri 2007-01-01 TETRAHEDRON-ASYMMETRY - 1.01 Articolo in rivista -
Mostrati risultati da 1 a 20 di 93
Legenda icone

  •  file ad accesso aperto
  •  file disponibili sulla rete interna
  •  file disponibili agli utenti autorizzati
  •  file disponibili solo agli amministratori
  •  file sotto embargo
  •  nessun file disponibile