SCARANTO, Jessica
SCARANTO, Jessica
A DFT study of CO adsorbed on clean and hydroxylated anatase TiO2 (001) surfaces
2009-01-01 Scaranto, Jessica; Giorgianni, Santi
A quantum-mechanical study of CO adsorbed on TiO2: a comparison of the Lewis acidity of the rutile (110) and the anatase (101) surfaces
2008-01-01 Scaranto, Jessica; Giorgianni, Santi
A quantum-mechanical study of the vinyl fluoride adsorbed on the rutile TiO2 (110) surface
2006-01-01 Scaranto, Jessica; G., Mallia; Giorgianni, Santi; C. M., ZICOVICH WILSON; B., Civalleri; N. M., Harrison
A quantum-mechanical studyof CHClF2 adsorbed on anatase (101) surface
2010-01-01 Scaranto, Jessica; Giorgianni, Santi
A systematic study of the influence of the slab thickness on the Lewis acidity of the rutile (110) surface: a quantum mechanical simulation of CO adsorption
2009-01-01 Scaranto, Jessica; Giorgianni, Santi
Adsorption of CH2CHF on the anatase (101) surface: a quantum-mechanical study
2007-01-01 Scaranto, Jessica; Giorgianni, Santi
CH2F2 adsorbed on TiO2: a DFT study on the adsorption energetics and lateral effects
2011-01-01 Scaranto, Jessica; Giorgianni, Santi
CH2FBr-TiO2 interaction: an investigation through infrared spectra and first principles models
2011-01-01 Scaranto, Jessica; Giorgianni, Santi
DFT calculations of carbon monoxide adsorbed on anatase TiO2 (101) and (001)surfaces: correlation between the binding energy and the CO stretching frequency
2013-01-01 Scaranto, Jessica; Giorgianni, Santi
Energetics and lateral effects of CH2ClF adsorbed on anatase TiO2 (101) surface
2011-01-01 Scaranto, Jessica; Giorgianni, Santi
Experimental and theoretical studies of the vibrational spectra of cis-1-bromo-2-fluoroethene
2004-01-01 Baldacci, Agostino; Stoppa, Paolo; PIETROPOLLI CHARMET, Andrea; Scaranto, Jessica; A., Gambi
First principles models of CH2F2adsorbed on anatase (101) surface. (P22)
2010-01-01 Scaranto, Jessica; Giorgianni, Santi
Influence of the OH groups of hydroxylated rutile (110) surface on the Lewis acidity: an investigation of CO adsorption by quantum-mechanical simulations.
2008-01-01 Scaranto, Jessica; Giorgianni, Santi
Infrared spectra and first principles simulations of CH2FBr adsorbed on TiO2. (P 14)
2010-01-01 Scaranto, Jessica; Giorgianni, Santi
Insights into the adsorption of CH2BrF on anatase TiO2(101) surface through DFT modelling
2014-01-01 Scaranto, Jessica; Giorgianni, Santi
Investigation of CHBrF2 adsorbed on TiO2 through IR spectroscopy and DFT calculations
2013-01-01 Scaranto, Jessica; D., Moro; Tasinato, Nicola; Stoppa, Paolo; PIETROPOLLI CHARMET, Andrea; Giorgianni, Santi
IR spectroscopy and quantum-mechanical studies on the adsorption of CH2CClF on TiO2
2008-01-01 Scaranto, Jessica; PIETROPOLLI CHARMET, Andrea; Giorgianni, Santi
IR spectroscopy of CH2CBrF adsorbed on TiO2 and quantum-mechanical studies
2009-01-01 Scaranto, Jessica; Stoppa, Paolo; PIETROPOLLI CHARMET, Andrea; Giorgianni, Santi
Vinyl halides adsorbed on TiO2 surface: FTIR spectroscopy studies and ab initio calculations
2005-01-01 Scaranto, Jessica; PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Giorgianni, Santi
Vinyl halides adsorbed on TiO2: study of the adsorbate - substrate interaction by IR spectroscopy and quantum -mechanical calculations
2006-12-21 Scaranto, Jessica