| 1 |
Mechanism and Thermochemistry of Coal Char Oxidation and Desorption of Surface Oxides
Levi G, Causa M, Lacovig P, Salatino P, Senneca O
Energy & Fuels, 31(3), 2308, 2017 |
| 2 |
A Close Look at Charge Generation in Polymer:Fullerene Blends with Microstructure Control
Scarongella M, De Jonghe-Risse J, Buchaca-Domingo E, Causa M, Fei ZP, Heeney M, Moser JE, Stingelin N, Banerji N
Journal of the American Chemical Society, 137(8), 2908, 2015 |
| 3 |
A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler-Natta catalysts-1: TiCl4 adsorption on MgCl2 crystal surfaces
D'Amore M, Credendino R, Budzelaar PHM, Causa M, Busico V
Journal of Catalysis, 286, 103, 2012 |
| 4 |
Border Reactivity of Polycyclic Aromatic Hydrocarbons and Soot Platelets Toward Ozone. A Theoretical Study
Giordana A, Maranzana A, Ghigo G, Causa M, Tonachini G
Journal of Physical Chemistry A, 115(4), 470, 2011 |
| 5 |
Maximum Probability Domains in Crystals: The Rock-Salt Structure
Causa M, Savin A
Journal of Physical Chemistry A, 115(45), 13139, 2011 |
| 6 |
Structure and ESR features of a radiation-induced radical in alpha-glycine crystals
Barone V, Causa M
Chemical Physics Letters, 452(1-3), 89, 2008 |
| 7 |
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
Giordana A, Maranzana A, Ghigo G, Causa M, Tonachini G
Journal of Physical Chemistry A, 112(5), 973, 2008 |
| 8 |
Aromatic hydrocarbon nitration under tropospheric and combustion conditions. A theoretical mechanistic study
Ghigo G, Causa M, Maranzana A, Tonachini G
Journal of Physical Chemistry A, 110(49), 13270, 2006 |
| 9 |
X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations
Fronzoni G, Francesco R, Stener M, Causa M
Journal of Physical Chemistry B, 110(20), 9899, 2006 |
| 10 |
Ozone interaction with polycyclic aromatic hydrocarbons and soot in atmospheric processes: Theoretical density functional study by molecular and periodic methodologies
Maranzana A, Serra G, Giordana A, Tonachini G, Barco G, Causa M
Journal of Physical Chemistry A, 109(48), 10929, 2005 |
