Paola Belanzoni
Contact
Prof. Paola Belanzoni
Univ. of Perugia
Dept. of Chemistry, Biology and Biotechnology-CNR ISTM
Via Elce di Sotto, 8
06123 Perugia
Italy
website,
mail
Expertise
Metals: Fe,
Cu,
Mn,
Ir, Au
Techniques: Transition State localization, Minimum Energy Crossing Point, DFT
Resources: Intel Simplecore sccw (one rack) x86_64 cluster, Intel Multicore mccw (two racks)x86_64 cluster
Recent publications
G. Ciancaleoni, L. Belpassi, D. Zuccaccia, F. Tarantelli, and P. Belanzoni
"Counterion Effect in the Reaction Mechanism of NHC Gold(I)-Catalyzed Alkoxylation of Alkynes: Computational Insight into Experiment"
ACS Catal. 2015, 5, 803-814
[abstract]
DOI: 10.1021/cs501681f
G. Gopakumar, P. Belanzoni, and E.J. Baerends
"Hydroxylation Catalysis by Mononuclear and Dinuclear Iron Oxo Catalysts: a Methane Monooxygenase Model System versus the Fenton Reagent FeIV O(H2 O)5 2+ "
Inorg. Chem. 2012, 51, 63-75
[abstract]
DOI: 10.1021/ic200754w
P. Belanzoni, C. Michel, and E.J. Baerends
"Cu(bipy)2+ /TEMPO-Catalyzed Oxidation of Alcohols: Radical or Nonradical Mechanism?"
Inorg. Chem. 2011, 50, 11896-11904
[abstract]
DOI: 10.1021/ic200725k
C. Michel, P. Belanzoni, P. Gamez, J. Reedijk, and E.J. Baerends
"Activation of the C−H Bond by Electrophilic Attack: Theoretical Study of the Reaction Mechanism of the Aerobic Oxidation of Alcohols to Aldehydes by the Cu(bipy)2+ /2,2,6,6-Tetramethylpiperidinyl-1-oxy Cocatalyst System"
Inorg. Chem. 2009, 48, 11909-11920
[abstract]
DOI: 10.1021/ic902155m
P. Belanzoni, L. Bernasconi, and E.J. Baerends
"O2 Activation in a Dinuclear Fe(II)/EDTA Complex: Spin Surface Crossing As a Route to Highly Reactive Fe(IV)oxo Species† "
J. Phys. Chem. A 2009, 113, 11926-11937
[abstract]
DOI: 10.1021/jp9033672
