List of works - Andrea Maranzana

Antagonistic functionalized nucleation and oxidative degradation in combustive formation of pyrene-based clusters mediated by triplet O and O2 : theoretical study.

scientific article published on 26 June 2015

Aromatic hydrocarbon nitration under tropospheric and combustion conditions. A theoretical mechanistic study

scientific article published on 01 December 2006

Border reactivity of polycyclic aromatic hydrocarbons and soot platelets toward ozone. A theoretical study

scientific article published on 22 December 2010

Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study.

scientific article published on 18 September 2015

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

scientific article published in December 2013

First ring formation by radical addition of propargyl to but-1-ene-3-yne in combustion. Theoretical study of the C7H7 radical system

scientific article published on 07 January 2014

Growth of polyaromatic molecules via ion-molecule reactions: an experimental and theoretical mechanistic study

scientific article

Growth of polyphenyls via ion-molecule reactions: an experimental and theoretical mechanistic study

scientific article

Mechanistic significance of perepoxide trapping experiments, with epoxide detection, in 1Deltag dioxygen reactions with alkenes.

scientific article

Memory effects in carbocation rearrangements: structural and dynamic study of the norborn-2-en-7-ylmethyl-X solvolysis case

scientific article published on 4 September 2013

Oxidation of ethyne and But-2-yne. 2. Master equation simulations

scientific article

Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: theoretical density functional study by molecular and periodic methodologies

scientific article published on 01 December 2005

Polycyclic aromatic hydrocarbon formation mechanism in the "particle phase". A theoretical study

scientific article published on 29 June 2010

Selective detection of ATP and ADP in aqueous solution by using a fluorescent zinc receptor

scientific article published on 19 October 2012

Soot platelets and PAHs with an odd number of unsaturated carbon atoms and pi electrons: theoretical study of their spin properties and interaction with ozone.

scientific article published on 16 January 2008

Synthesis of five-membered cyclic ethers by reaction of 1,4-diols with dimethyl carbonate

scientific article published on 22 June 2012

The 1deltag dioxygen ene reaction with propene: a density functional and multireference perturbation theory mechanistic study.

scientific article

The oxidized soot surface: theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experiments

scientific article published on 01 November 2006

Tuning of the Electronic Properties of Armchair Graphene Nanoribbons through Functionalization: Theoretical Study of (1)Δg O2 Border Addition

scientific article published on 17 August 2015

o-Benzyne fragmentation and isomerization pathways: a CASPT2 study

scientific article published on 06 October 2014

List of works by Andrea Maranzana

Antagonistic functionalized nucleation and oxidative degradation in combustive formation of pyrene-based clusters mediated by triplet O and O2 : theoretical study.

Aromatic hydrocarbon nitration under tropospheric and combustion conditions. A theoretical mechanistic study

Border reactivity of polycyclic aromatic hydrocarbons and soot platelets toward ozone. A theoretical study

Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study.

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

First ring formation by radical addition of propargyl to but-1-ene-3-yne in combustion. Theoretical study of the C7H7 radical system

Growth of polyaromatic molecules via ion-molecule reactions: an experimental and theoretical mechanistic study

Growth of polyphenyls via ion-molecule reactions: an experimental and theoretical mechanistic study

Mechanistic significance of perepoxide trapping experiments, with epoxide detection, in 1Deltag dioxygen reactions with alkenes.

Memory effects in carbocation rearrangements: structural and dynamic study of the norborn-2-en-7-ylmethyl-X solvolysis case

Oxidation of ethyne and But-2-yne. 2. Master equation simulations

Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: theoretical density functional study by molecular and periodic methodologies

Polycyclic aromatic hydrocarbon formation mechanism in the "particle phase". A theoretical study

Selective detection of ATP and ADP in aqueous solution by using a fluorescent zinc receptor

Soot platelets and PAHs with an odd number of unsaturated carbon atoms and pi electrons: theoretical study of their spin properties and interaction with ozone.

Synthesis of five-membered cyclic ethers by reaction of 1,4-diols with dimethyl carbonate

The 1deltag dioxygen ene reaction with propene: a density functional and multireference perturbation theory mechanistic study.

The oxidized soot surface: theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experiments

Tuning of the Electronic Properties of Armchair Graphene Nanoribbons through Functionalization: Theoretical Study of (1)Δg O2 Border Addition

o-Benzyne fragmentation and isomerization pathways: a CASPT2 study