GIORGIANNI, Santi
GIORGIANNI, Santi
Dipartimento di Scienze Molecolari e Nanosistemi
A Bit of Sugar on TiO2: Quantum Chemical Insights on the Interfacial Interaction of Glycolaldehyde over Titanium Dioxide
2018-01-01 Tasinato, Nicola; Ceselin, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Giorgianni, Santi
A CCSD(T) STUDY ON THE VIBRATIONAL SPECTRA OF R1122
2015-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi
A combined experimental and computational study on the vibrational spectra of 1-bromo-1-fluoroethene in the 200-6500 cm-1 region
2014-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; D., De Vito; Tasinato, Nicola; Giorgianni, Santi; C., Puzzarini; I., Carnimeo; J., Bloino; M., Biczysko
A DFT study of CO adsorbed on clean and hydroxylated anatase TiO2 (001) surfaces
2009-01-01 Scaranto, Jessica; Giorgianni, Santi
A Fourier transform study of CH2=CHF in the v4 band region near 1650 cm-1
1996-01-01 DE LORENZI, Alessandra; Giorgianni, Santi; Stoppa, Paolo; A., Gambi
A joint experimental and computational study on the vibrational spectra of R1122
2014-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Tasinato, Nicola; 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
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
2017-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina
Adsorbate-substrate interaction between chlorodifluoromethane and titanium dioxide: Infrared spectroscopy and density functional theory studies
2011-01-01 J., Scaranto; Giorgianni, Santi
Adsorption of CH2CHF on the anatase (101) surface: a quantum-mechanical study
2007-01-01 Scaranto, Jessica; Giorgianni, Santi
Adsorption of difluoromethane on titanium dioxide: Investigation of the FTIR spectra and quantum-mechanical studies of the adsorbate-substrate structures
2009-01-01 J., Scaranto; Giorgianni, Santi
Adsorption of F2C=CFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations
2015-01-01 Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; PIETROPOLLI CHARMET, Andrea; Toninello, Piero; Giorgianni, Santi
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane
2013-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi; V., Barone; M., Biczysko; J., Bloino; C., Cappelli; I., Carnimeo; C., Puzzarini
Anharmonic resonances in the CH chromophore overtone spectra of CHBrF2
2011-01-01 PIETROPOLLI CHARMET, Andrea; Tasinato, Nicola; Stoppa, Paolo; Giorgianni, Santi; A., Gambi
CH2ClF adsorbed on TiO2: study of the adsorbate-substrate interaction by IR spectroscopy and DFT calculations
2010-01-01 J., Scaranto; 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