A change from stepwise to concerted mechanism in the acid-catalysed benzidine rearrangement: a theoretical study.
2012-01-01 GIOVANNI GHIGO; ANDREA MARANZANA; GLAUCO TONACHINI
Ab initio theoretical study of metallo-dehydrogenation and nucleophilic addition reactions of methyllithium and methylpotassium with crotonaldehyde dimethylacetal
1997-01-01 FOSSEY J; G. GHIGO; TONACHINI G; VENTURELLO P
Ab Initio Theoretical Study of the Monomer-Dimer Equilibrium in Lithium and Sodium Gem-Dichloro Allyl and Methyl Systems
1994-01-01 C. Canepa; G. Tonachini
Ab Initio Theoretical Study of the Monomer-Dimer Equilibrium in Lithium and Sodium Gem-Difluoro Allyl and Methyl Systems
1994-01-01 C. Canepa; P. Antoniotti; G. Tonachini
Ab initio theoretical study of the reactivity as bases or nucleophiles of potassium and lithium methides
1997-01-01 G. GHIGO; TONACHINI G; FOSSEY J
AB-INITIO THEORETICAL INVESTIGATION ON THE WRIGHT-WEST AND WITTIG ANIONIC MIGRATION REACTIONS
1993-01-01 Antoniotti P.; Tonachini G.
An Ab Initio Theoretical Study of the Structure and Stability of 1-fluoropropenide and 1,1-difluoropropenide and of the Corresponding Monomeric Lithiated Species
1989-01-01 G. Tonachini; C. Canepa
Antagonistic Functionalized Nucleation and Oxidative Degradation in Combustive Formation of Pyrene-Based Clusters Mediated by Triplet O and O
2: Theoretical Study
2015-01-01 Maranzana, Andrea; Tonachini, Glauco
Anthracene and phenanthrene tropospheric oxidation promoted by the nitrate radical in the gas-phase. Theoretical modelistic study
2017-01-01 Maranzana, Andrea; Ghigo, Giovanni; Tonachini, Glauco
Aromatic Hydrocarbon Nitration under Tropospheric and Combustion Conditions. A Theoretical Mechanistic Study
2006-01-01 GHIGO G; CAUSA' M; MARANZANA A; TONACHINI G
Benzene Oxidation in the Troposphere. A Theoretical Investigation on the Possible Competition of Three Postulated Reaction Channels
1998-01-01 G. GHIGO; G. TONACHINI
Border Reactivity of Polycyclic Aromatic Hydrocarbons and Soot Platelets Toward Ozone. A Theoretical Study
2011-01-01 Anna Giordana; Andrea Maranzana; Giovanni Ghigo; Mauro Causa'; Glauco Tonachini
Carbonaceous Nanoparticle Molecular Inception from Radical Addition and van der Waals Coagulation of Polycyclic Aromatic Hydrocarbon-Based Systems. A Theoretical Study.
2011-01-01 Anna Giordana; Andrea Maranzana; Glauco Tonachini
CO and CO2 desorption from oxygenates functional group on the soot surface: a TPD-EPR and theoretical study about a possible mechanism.
2006-01-01 Gianluca BARCO; Giovanni GHIGO; Mauro CAUSÀ; Andrea MARANZANA; Glauco TONACHINI
Combustion and atmospheric oxidation of hydrocarbons: Theoretical study of the methyl peroxyl self-reaction
2003-01-01 G. GHIGO; A. MARANZANA; G. TONACHINI
Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study
2015-01-01 Maranzana, Andrea; Ghigo, Giovanni; Tonachini, Glauco
Comprehensive study on the degradation of ochratoxin A in water by spectroscopic techniques and DFT calculations
2019-01-01 Cagnasso I.; Tonachini G.; Berto S.; Giacomino A.; Mandrile L.; Maranzana A.; Durbiano F.
Counterion Effects on the Wright-West Anionic Migration Reaction. An Ab Initio Theoretical Study
1994-01-01 P. Antoniotti; C. Canepa; G. Tonachini
Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes
2013-01-01 A. Maranzana; A. Giordana; A. Indarto; G. Tonachini; V. Barone; M. Causà; M. Pavone
Density Functional, Single and Multi-Reference Perturbation Theory Study of the Reaction 3Sg O2 + HOCH2CH2. ¨ HOO. + HOCH=CH2, Modeling an Important Step in Tropospheric Benzene Oxidation
1999-01-01 G. GHIGO; G. TONACHINI