Department of Chemistry

Selected research products

Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco (2015)
Tuning of the Electronic Properties of Armchair Graphene Nanoribbons through Functionalization: Theoretical Study of1?gO2Border Addition.
https://iris.unito.it/handle/2318/1525348

Scapinello, Marco, Martini, Luca Matteo, Tosi, Paolo, Maranzana, Andrea, Tonachini, Glauco (2015)
Molecular growth of PAH-like systems induced by oxygen species: experimental and theoretical study of the reaction of naphthalene with HO (2?3/2), O (3P), and O2(3??g).
https://iris.unito.it/handle/2318/1521731

Maranzana, Andrea, Tonachini, Glauco (2015)
Antagonistic Functionalized Nucleation and Oxidative Degradation in Combustive Formation of Pyrene-Based Clusters Mediated by Triplet O and O<inf>2</inf>: Theoretical Study.
https://iris.unito.it/handle/2318/1525927

Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2015)
Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study.
https://iris.unito.it/handle/2318/1527047

Daniela Trogolo, Andrea Maranzana, Giovanni Ghigo, Glauco Tonachini (2014)
First Ring Formation by Radical Addition of Propargyl to But-1-ene-3-yne in Combustion. Theoretical Study of the C7H7 Radical System.
https://iris.unito.it/handle/2318/141386

L M Martini, G Dilecce, G Guella, A Maranzana, G Tonachini, P Tosi (2014)
Oxidation of CH4 by CO2 in a dielectric barrier discharge.
https://iris.unito.it/handle/2318/141385

Giovanni Ghigo, Andrea Maranzana, Glauco Tonachini (2014)
o-Benzyne fragmentation and isomerization pathways. A CASPT2 study.
https://iris.unito.it/handle/2318/155388

A Maranzana, G Tonachini (2013)
Ossidazione di IPA, nascita ed immissione nell?ambiente di nanoparticelle carboniose ossigenate. Studio teorico modellistico.
https://iris.unito.it/handle/2318/141129

J Aysina, A Maranzana, G Tonachini, P Tosi, D Ascenzi (2013)
Growth of polyphenyls via ion?molecule reactions: An experimental and theoretical mechanistic study.
https://iris.unito.it/handle/2318/141387

A Maranzana, A Giordana, A Indarto, G Tonachini, V Barone, M Causa?, M Pavone (2013)
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.
https://iris.unito.it/handle/2318/141384

Giovanni Ghigo, Andrea Maranzana, Glauco Tonachini (2013)
Memory Effects in Carbocation Rearrangements: Structural and Dynamic Study of the Norborn-2-en-7-ylmethyl-X Solvolysis Case.
https://iris.unito.it/handle/2318/141381

Andrea Maranzana, Antonius Indarto, Giovanni Ghigo, Glauco Tonachini (2013)
First carbon ring closures started by the combustive radical addition of propargyl to butadiyne. A theoretical study.
https://iris.unito.it/handle/2318/141382

Giovanni Ghigo, Stefania Cagnina, Silvio Osella, Andrea Maranzana, Glauco Tonachini (2012)
From second to third order kinetics acid-catalyzed Benzidine Rearrangement. A theoretical study.
https://iris.unito.it/handle/2318/120545

F Aricò, P Tundo, A Maranzana, G Tonachini (2012)
Synthesis of Five-Membered Cyclic Ethers by Reaction of 1,4-Diols with Dimethyl Carbonate.
https://iris.unito.it/handle/2318/122579

GIOVANNI GHIGO, ANDREA MARANZANA, GLAUCO TONACHINI (2012)
A change from stepwise to concerted mechanism in the acid-catalysed benzidine rearrangement: a theoretical study.
https://iris.unito.it/handle/2318/89584

Anna Giordana, Andrea Maranzana, Glauco Tonachini (2011)
Theoretical Investigation of Soot Nanoparticle Inception via Polycyclic Aromatic Hydrocarbon Coagulation (Condensation): Energetic, Structural, and Electronic Features.
https://iris.unito.it/handle/2318/88135

Anna Giordana, Andrea Maranzana, Glauco Tonachini (2011)
Carbonaceous Nanoparticle Molecular Inception from Radical Addition and van der Waals Coagulation of Polycyclic Aromatic Hydrocarbon-Based Systems. A Theoretical Study.
https://iris.unito.it/handle/2318/96694

Anna Giordana, Andrea Maranzana, Giovanni Ghigo, Mauro Causa', , Glauco Tonachini (2011)
Border Reactivity of Polycyclic Aromatic Hydrocarbons and Soot Platelets Toward Ozone. A Theoretical Study.
https://iris.unito.it/handle/2318/79748

Ghigo G , Osella S , Maranzana A , Tonachini G (2011)
The mechanism of the acid catalyzed benzidine rearrangement of hydrazobenzene. A theoretical study.
https://iris.unito.it/handle/2318/83553

Ghigo G , Cagnina S , Maranzana A , Tonachini G (2010)
The mechanism of the Stevens and Sommelet-Hauser Rearrangements. A Theoretical Study.
https://iris.unito.it/handle/2318/77200

Giovanni GHIGO, Silvio OSELLA, Andrea MARANZANA, Glauco TONACHINI (2010)
Theoretical study of the Benzidine Rearrangement.
https://iris.unito.it/handle/2318/75647

Ascenzi D , Aysina J , Tosi P , Maranzana A , Tonachini G (2010)
Growth of polyaromatic molecules via ion-molecule reactions: an experimental and theoretical mechanistic study .
https://iris.unito.it/handle/2318/82410

Giordana A , Maranzana A , Tonachini G (2010)
Studio teorico di meccanismi di nucleazione di particolato carbonioso.
https://iris.unito.it/handle/2318/80624

Indarto A , Giordana A , Ghigo G , Maranzana A , Tonachini G (2010)
Polycyclic aromatic hydrocarbon formation mechanism in the "particle phase". A theoretical study.
https://iris.unito.it/handle/2318/75915

Indarto A , Giordana A , Ghigo G , Tonachini G (2010)
The formation of PAHs and soot platelets: Multiconfiguration theoretical study of the key step in the Ring closure-Radical breeding polyyne-based mechanism.
https://iris.unito.it/handle/2318/61498

Giordana A , Ghigo G , Tonachini G , Ascenzi D , Tosi P , Guella G (2009)
The reaction of N2O with phenylium ions C6(H,D)5+: an integrated experimental and theoretical mechanistic study.
https://iris.unito.it/handle/2318/59902

Tundo P , Arico F , Rosamilia AE, Rigo M , Maranzana A , Tonachini G (2009)
Reaction of dialkyl carbonates with alcohols: Defining a scale of the best leaving and entering groups.
https://iris.unito.it/handle/2318/76218

Giovanni GHIGO, Andrea MARANZANA, Glauco TONACHINI (2008)
Studio teorico della Trasposizione di Stevens.
https://iris.unito.it/handle/2318/78041

Maranzana A , Barker J R , Tonachini G (2008)
Oxidation of ethyne and but-2-yne. 2. Master equation simulations.
https://iris.unito.it/handle/2318/59423

Antonius INDARTO, Anna GIORDANA, Giovanni GHIGO, Glauco TONACHINI (2008)
The formation mechanism of PAHs and soot platelets: modelling Krestinin's "Radical breeding" mechanism by quantum chemical methods.
https://iris.unito.it/handle/2318/73642

A MARANZANA, G GHIGO, G TONACHINI, J R BARKER (2008)
Tropospheric oxidation of ethyne and but-2-yne. I. Theoretical mechanistic study.
https://iris.unito.it/handle/2318/28152

Antonius INDARTO, Anna GIORDANA, Giovanni GHIGO, Glauco TONACHINI (2008)
PAH growth in the particle phase. Theoretical study of the reaction of a "hydrocarbon radical-ethyne" system adsorbed on a soot platelet, within a variant of the HACA mechanism.
https://iris.unito.it/handle/2318/75369

A GIORDANA, A MARANZANA, G GHIGO, M CAUSÀ, G TONACHINI (2008)
Soot platelets and PAHs with an odd number of unsaturated carbon atoms and ? electrons: Theoretical study of their spin properties and interaction with ozone.
https://iris.unito.it/handle/2318/38798

Anna GIORDANA, Gianluca BARCO, Giovanni GHIGO, Andrea MARANZANA, Mauro CAUSÀ, Glauco TONACHINI (2007)
Theoretical studies on soot: ozonization mechanism of border and internal position and desorption mechanism involving oxygenated functionalities.
https://iris.unito.it/handle/2318/75368

Maranzana A , Barker J R , Tonachini G (2007)
Master equation simulations of competing unimolecular and bimolecular reactions: application to OH production in the reaction of acetyl radical with O-2.
https://iris.unito.it/handle/2318/57372

GHIGO G, MARANZANA A, CAUSÀ M, TONACHINI G (2007)
Theoretical mechanistic study oxidation reactions of some saturated and unsaturated organic molecules.
https://iris.unito.it/handle/2318/22138

Paola Antoniotti, Claudio Carra, Andrea Maranzana, Glauco Tonachini (2007)
Germyl Mesolytic Dissociations in the Allylgermane and Penta-2,4-dienylgermane Radical Anions. A Theoretical Study.
https://iris.unito.it/handle/2318/50575

BARCO G, MARANZANA A, GHIGO G, CAUSÀ M, TONACHINI G (2006)
The oxidized soot surface: Theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programmed desorption experiments.
https://iris.unito.it/handle/2318/22137

Anna GIORDANA, Andrea MARANZANA, Giovanni GHIGO, Mauro CAUSÀ, Glauco TONACHINI (2006)
Reattività di O3 con IPA contenenti anelli a 5 termini. Studio teorico del meccanismo di reazione.
https://iris.unito.it/handle/2318/77786

Gianluca BARCO, Giovanni GHIGO, Mauro CAUSÀ, Andrea MARANZANA, Glauco TONACHINI (2006)
CO and CO2 desorption from oxygenates functional group on the soot surface: a TPD-EPR and theoretical study about a possible mechanism.
https://iris.unito.it/handle/2318/74588

GHIGO G, CAUSA', M, MARANZANA A, TONACHINI G (2006)
Aromatic Hydrocarbon Nitration under Tropospheric and Combustion Conditions. A Theoretical Mechanistic Study.
https://iris.unito.it/handle/2318/21754

Canepa C, Mosso M, Maranzana A, Tonachini G (2005)
Entropy of activation for reactions in the condensed phase: A theoretical study of the S(N)2 alkylation of amines.
https://iris.unito.it/handle/2318/59296

Maranzana A, Serra G, Giordana A, Tonachini G, Barco G, Causa M (2005)
Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: Theoretical density functional study by molecular and periodic methodologies.
https://iris.unito.it/handle/2318/59364

MARANZANA A, CANEPA C, GHIGO G, TONACHINI G (2005)
Theoretical study on the reactivity and regioselectivity of the ene reaction of 1?g O2 with ?,?-unsaturated carbonyl compounds.
https://iris.unito.it/handle/2318/5793

GHIGO G, MARANZANA A, TONACHINI G, ZICOVICH-WILSON M, CAUSÀ M (2004)
Modeling soot and its functionalization under atmospheric or combustion conditions by Density Functional Theory within molecular (polycyclic-aromatic-hydrocarbon-like) and periodic methodologies.
https://iris.unito.it/handle/2318/5790

MARANZANA A, G GHIGO, TONACHINI G (2003)
The Mechanistic Significance of Perepoxide Trapping Experiments, with Epoxide Detection, in 1Dg Dioxygen Reactions with Alkenes.
https://iris.unito.it/handle/2318/23391

G GHIGO, A MARANZANA, G TONACHINI (2003)
Combustion and atmospheric oxidation of hydrocarbons: Theoretical study of the methyl peroxyl self-reaction.
https://iris.unito.it/handle/2318/1855

A MARANZANA, G GHIGO, G TONACHINI (2003)
The 1Dg dioxygen ene reaction with propene. Density Functional and Multireference Perturbation Theory Mechanistic Study.
https://iris.unito.it/handle/2318/1721

C CARRA, G GHIGO, G TONACHINI (2003)
Methyl and silyl mesolytic dissociations in the radical cations and radical anions of but-1-ene, allylsilane, hexa-1,3-diene, and penta-2,4-dienylsilane. CAS-MCSCF and Coupled Cluster theoretical study.
https://iris.unito.it/handle/2318/1681

G GHIGO, F MOTTA, G TONACHINI (2002)
Tropospheric Benzene Degradation. Theoretical Mechanistic Study of Some Oxidation Channels.
https://iris.unito.it/handle/2318/37071

MOTTA F, GHIGO G, TONACHINI G (2002)
Oxidative degradation of benzene in the troposphere. Theoretical mechanistic study of the formation of unsaturated dialdehydes and dialdehyde epoxides.
https://iris.unito.it/handle/2318/22441

G Innorta G, S Torroni, A Maranzana, G Tonachini (2001)
Entropy effects in gas phase ion-molecule association reactions.
https://iris.unito.it/handle/2318/60162

Antoniotti P, Canepa C, Maranzana A, Operti L, Rabezzana R, Tonachini G, Vaglio GA (2001)
Experimental and theoretical study of the formation of germanium-carbon ion species in gaseous germane/ethene mixtures.
https://iris.unito.it/handle/2318/57371

P Antoniotti, L Operti, R Rabezzana, G Tonachini, G A Vaglio (2000)
Gas phase ion chemistry and ab initio theoretical study of phosphine. III. Reactions of PH2+ and PH3+ with PH3.
https://iris.unito.it/handle/2318/106007

MARANZANA A, G GHIGO, TONACHINI G (2000)
Diradical and peroxirane pathways in the [?2+?2] cycloaddition reactions of 1?g dioxygen with ethene, methyl vinyl ether, and butadiene: A Density Functional and Multi-Reference Perturbation Theory study.
https://iris.unito.it/handle/2318/21998

G GHIGO, G TONACHINI (1999)
From Benzene to Muconaldehyde: Theoretical Mechanistic Investigation on Some Tropospheric Oxidation Channels.
https://iris.unito.it/handle/2318/22021

ANTONIOTTI P, CANEPA C, OPERTI L, RABEZZANA R, TONACHINI G, VAGLIO GA (1999)
Gas Phase Ion Chemistry of Silane with Ethane and Ethyne.
https://iris.unito.it/handle/2318/1472

G GHIGO, G TONACHINI (1999)
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.
https://iris.unito.it/handle/2318/23332

P ANTONIOTTI, C CANEPA, L OPERTI, R RABEZZANA, G TONACHINI, G A VAGLIO (1999)
Experimental and Theoretical Study of the Formation of Silicon-Carbon Ion Species in Gaseous Silane/Ethene Mixtures.
https://iris.unito.it/handle/2318/115339

Antoniotti P , Tonachini G (1999)
Mechanism of the germyl Wright-West anionic migration. Ab initio theoretical study of counterion effects and comparison with the analogous silyl and methyl (Wittig) rearrangements.
https://iris.unito.it/handle/2318/122468

G GHIGO, G TONACHINI (1998)
Benzene Oxidation in the Troposphere. A Theoretical Investigation on the Possible Competition of Three Postulated Reaction Channels.
https://iris.unito.it/handle/2318/1680

P Antoniotti, L Operti, R Rabezzana, G Tonachini, G A Vaglio (1998)
Gas phase ion chemistry and ab initio theoretical study of phosphine. II. Reactions of PH+ with PH3.
https://iris.unito.it/handle/2318/110140

Antoniotti P , Tonachini G (1998)
Mechanism of the anionic Wittig rearrangement. An ab initio theoretical study.
https://iris.unito.it/handle/2318/121924

G GHIGO, TONACHINI G, FOSSEY J (1997)
Ab initio theoretical study of the reactivity as bases or nucleophiles of potassium and lithium methides.
https://iris.unito.it/handle/2318/5776

FOSSEY J, G GHIGO, TONACHINI G, VENTURELLO P (1997)
Ab initio theoretical study of metallo-dehydrogenation and nucleophilic addition reactions of methyllithium and methylpotassium with crotonaldehyde dimethylacetal.
https://iris.unito.it/handle/2318/5775

P Antoniotti, L Operti, R Rabezzana, M Splendore, G Tonachini, G A Vaglio (1997)
Gas phase ion chemistry and ab initio theoretical study of phosphine. I.
https://iris.unito.it/handle/2318/106276

Giovanni Ghigo, Glauco Tonachini, Paolo Venturello (1996)
Ab Initio Theoretical Investigation on the Reactivity as Bases of Mixed LiMe/KOMe Complexes. A Model for Schlosser?s LICKOR Superbase.
https://iris.unito.it/handle/2318/105647

Antoniotti P , Tonachini G (1996)
Germyl Wright - West anionic migration. Ab initio theoretical study of the reaction mechanism in the case of a free anion.
https://iris.unito.it/handle/2318/122532

Courses

• Chimica Organica D
  Corso di studi in Chimica
• Chimica Organica E
  Corso di studi in Chimica
• Chimica Organica II (Nuovo Ordinamento D.M. 270) (MFN0457)
  Corso di studi in Chimica
• Chimica organica ambientale (S8038)
  Corso di studi in Chimica
• Meccanismi di reazioni organiche I (Vecchio Ordinamento D.M. 509 a.a. 2008/09) (S8015)
  Corso di studi in Chimica
• Sintesi e meccanismi in Chimica Organica (Nuovo Ordinamento D.M. 270 - a.a. 2009/10) (MFN268)
  Corso di studi in Chimica

Research groups

• SMCO - Metodi

Activities in agenda

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