Giorgianni, Santi: search on Z-Library

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1

CH 2 FBr–TiO 2 interaction: an investigation through infrared spectra and first principles models

Scaranto, Jessica, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 603 KB

english, 2011

2

Anharmonic resonances in the CH chromophore overtone spectra of CHBrF 2

Charmet, Andrea Pietropolli, Tasinato, Nicola, Stoppa, Paolo, Giorgianni, Santi, Gambi, Alberto

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 400 KB

english, 2011

3

Self-, N 2 -, O 2 -broadening coefficients and line parameters of HFC-32 for ν 7 band and ground state transitions from infrared and microwave spectroscopy

Tasinato, Nicola, Turchetto, Arianna, Puzzarini, Cristina, Stoppa, Paolo, Charmet, Andrea Pietropolli, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 648 KB

english, 2014

4

The ro-vibrational analysis of the v 4 fundamental band of CF 3 Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

Canè, Elisabetta, Villa, Mattia, Tarroni, Riccardo, Tamassia, Filippo, Pietropolli Charmet, Andrea, Tasinato, Nicola, Stoppa, Paolo, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 627 KB

english, 2014

5

Spectroscopic study of CHBrF[sub 2] up to 9500 cm[sup −1]: Vibrational analysis, integrated band intensities, and ab initio calculations

Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Baldan, Alessandro, Giorgianni, Santi, Gambi, Alberto

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 260 KB

english, 2010

6

Adsorbate–substrate interaction between chlorodifluoromethane and titanium dioxide: Infrared spectroscopy and density functional theory studies

Jessica Scaranto, Santi Giorgianni

Journal:

Vibrational Spectroscopy

Year:

2011

Language:

english

File:

PDF, 201 KB

english, 2011

7

FTIR spectra of CH2F2 in the 1000–1300cm−1 region: Rovibrational analysis and modeling of the Coriolis and anharmonic resonances in the ν3, ν5, ν7, ν9 and 2ν4 polyad

Stoppa, Paolo, Tasinato, Nicola, Baldacci, Agostino, Pietropolli Charmet, Andrea, Giorgianni, Santi, Tamassia, Filippo, Cané, Elisabetta, Villa, Mattia

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2016

Language:

english

File:

PDF, 978 KB

english, 2016

8

Computing sextic centrifugal distortion constants by DFT: A benchmark analysis on halogenated compounds

Pietropolli Charmet, Andrea, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi

Journal:

Journal of Molecular Spectroscopy

Year:

2017

Language:

english

File:

PDF, 1.10 MB

english, 2017

9

Toward a Complete Understanding of the Vinyl Fluoride Spectrum in the Atmospheric Region

Dr. Nicola Tasinato, Prof. Paolo Stoppa, Dr. Andrea Pietropolli Charmet, Prof. Santi Giorgianni, Dr. Giovanni Buffa, Prof. Alberto Gambi

Journal:

Year:

2011

Language:

english

File:

PDF, 609 KB

english, 2011

10

Tunable Diode Laser Spectroscopy of cis -1,2-Difluoroethylene: Rovibrational Analysis of the ν 9 and ν 5 +ν 10 Bands and Anharmonic Force Field

Stoppa, Paolo, Charmet, A. Pietropolli, Giorgianni, Santi, Ghersetti, Sergio, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 108 KB

english, 2003

11

A systematic study of the influence of the slab thickness on the Lewis acidity of the rutile (1 1 0) surface: A quantum-mechanical simulation of CO adsorption

Jessica Scaranto, Santi Giorgianni

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 397 KB

english, 2009

12

Insights into the adsorption of CH2BrF on anatase TiO2 (101) surface through DFT modelling

Scaranto, Jessica, Giorgianni, Santi

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 721 KB

english, 2014

13

High-Resolution FTIR, Microwave, and Ab Initio Investigations of CH 279 BrF: Ground, v 5 = 1, and v 6 = 1, 2 State Constants

Baldacci, Agostino, Stoppa, Paolo, Pietropolli Charmet, Andrea, Giorgianni, Santi, Cazzoli, Gabriele, Puzzarini, Cristina, Larsen, René Wugt

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 192 KB

english, 2007

14

DFT calculations of carbon monoxide adsorbed on anatase TiO 2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequency

Scaranto, Jessica, Giorgianni, Santi

Journal:

Molecular Simulation

Year:

2013

Language:

english

File:

PDF, 170 KB

english, 2013

15

Energetics and Lateral Effects of CH 2 ClF Adsorbed on Anatase TiO 2 (101) Surface

Scaranto, Jessica, Giorgianni, Santi

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.05 MB

english, 2011

16

Accurate Vibrational–Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study

Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Bloino, Julien, Tasinato, Nicola, Carnimeo, Ivan, Biczysko, Malgorzata, Puzzarini, Cristina

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

17

A quantum-mechanical study of CO adsorbed on TiO2: A comparison of the Lewis acidity of the rutile (1 1 0) and the anatase (1 0 1) surfaces

Jessica Scaranto, Santi Giorgianni

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 454 KB

english, 2008

18

IR Spectroscopy and Quantum-Mechanical Studies of the Adsorption of CH 2 CClF on TiO 2

Scaranto, Jessica, Charmet, Andrea Pietropolli, Giorgianni, Santi

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 542 KB

english, 2008

19

Line-by-line spectroscopic parameters of HFC-32 ro-vibrational transitions within the atmospheric window around 8.2 μm

Tasinato, Nicola, Ceselin, Giorgia, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi

Journal:

Journal of Molecular Spectroscopy

Year:

2017

Language:

english

File:

PDF, 1.18 MB

english, 2017

20

IR spectroscopy of CH2CBrF adsorbed on TiO2 and quantum-mechanical studies

Scaranto, Jessica, Stoppa, Paolo, Charmet, Andrea Pietropolli, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 570 KB

english, 2009

21

Investigation of CHBrF2 adsorbed on TiO2 through IR spectroscopy and DFT calculations

Scaranto, Jessica, Moro, Daniele, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Giorgianni, Santi

Journal:

Vibrational Spectroscopy

Year:

2013

Language:

english

File:

PDF, 451 KB

english, 2013

22

Microwave, High-Resolution Infrared, and Quantum Chemical Investigations of CHBrF 2 : Ground and v 4 = 1 States

Cazzoli, Gabriele, Cludi, Lino, Puzzarini, Cristina, Stoppa, Paolo, Charmet, Andrea Pietropolli, Tasinato, Nicola, Baldacci, Agostino, Baldan, Alessandro, Giorgianni, Santi, Larsen, René Wugt, Stopko

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 706 KB

english, 2011

23

High-resolution infrared spectrum of diazirine-d2, D2CN2: Rovibrational analysis of the methylene stretching fundamentals

Alberto Gambi, Santi Giorgianni, Manfred Winnewisser, Guy Guelachvili

Journal:

Journal of Molecular Spectroscopy

Year:

1988

Language:

english

File:

PDF, 1.30 MB

english, 1988

24

Infrared Spectra, Integrated Band Intensities, and Anharmonic Force Field of H 2 C=CHF

Stoppa, Paolo, Charmet, Andrea Pietropolli, Tasinato, Nicola, Giorgianni, Santi, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

25

Health related quality of life in colorectal cancer patients: state of the art

Marventano, Stefano, Forjaz, Maria, Grosso, Giuseppe, Mistretta, Antonio, Giorgianni, Gabriele, Platania, Alessio, Gangi, Santi, Basile, Francesco, Biondi, Antonio

Journal:

Year:

2013

Language:

english

File:

PDF, 155 KB

english, 2013

26

A DFT study of CO adsorbed on clean and hydroxylated anatase TiO 2 (001) surfaces

Scaranto, Jessica, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 589 KB

english, 2009

27

An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane

Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Cappelli, Chiara, Carnimeo, Ivan, Puzzarini, Cristina

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 877 KB

english, 2013

28

Modelling the anharmonic and Coriolis resonances within the six level polyad involving the ν4 fundamental in the ro-vibrational spectrum of vinyl fluoride

Nicola Tasinato, Paolo Stoppa, Andrea Pietropolli Charmet, Santi Giorgianni, Alberto Gambi

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2012

Language:

english

File:

PDF, 1.33 MB

english, 2012

29

Infrared Spectrum and Anharmonic Force Field of CH 2 DBr

Baldacci, Agostino, Stoppa, Paolo, Baldan, Alessandro, Giorgianni, Santi, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 244 KB

english, 2009

30

A Bit of Sugar on TiO 2 : Quantum Chemical Insights on the Interfacial Interaction of Glycolaldehyde over Titanium Dioxide

Tasinato, Nicola, Ceselin, Giorgia, Stoppa, Paolo, Pietropolli Charmet, Andrea, Giorgianni, Santi

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.56 MB

english, 2018

31

The energetic of (CH2F2)2 investigated by TDL IR spectroscopy and DFT computations: From collision induced relaxation of ro-vibrational transitions to non-covalent interactions

Tasinato, Nicola, Turchetto, Arianna, Stoppa, Paolo, Charmet, Andrea Pietropolli, Giorgianni, Santi

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.86 MB

english, 2015

32

Collision induced broadening of ν 1 band and ground state spectral lines of sulfur dioxide perturbed by N 2 and O 2

Ceselin, Giorgia, Tasinato, Nicola, Puzzarini, Cristina, Charmet, Andrea Pietropolli, Stoppa, Paolo, Giorgianni, Santi

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2017

Language:

english

File:

PDF, 1.75 MB

english, 2017

33

Influence of the OH groups of hydroxylated rutile (110) surface on the Lewis acidity: an investigation of CO adsorption by quantum-mechanical simulations

Scaranto, Jessica, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 902 KB

english, 2008

34

Determination of the vinyl fluoride line intensities by TDL spectroscopy: the object oriented approach of Visual Line Shape Fitting Program to line profile analysis

Tasinato, Nicola, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 1.05 MB

english, 2010

35

CO 2 -, He- and H 2 -broadening coefficients of SO 2 for ν 1 band and ground state transitions for astrophysical applications

Ceselin, Giorgia, Tasinato, Nicola, Puzzarini, Cristina, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2017

Language:

english

File:

PDF, 907 KB

english, 2017

36

Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach

Nicola Tasinato, Andrea Pietropolli Charmet, Paolo Stoppa, Santi Giorgianni, Alberto Gambi

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 582 KB

english, 2012

37

High-Resolution Infrared Study of Vinyl Fluoride in the 750−1050 cm -1 Region: Rovibrational Analysis and Resonances Involving the ν 8 , ν 10 , and ν 11 Fundamentals

Tasinato, Nicola, Stoppa, Paolo, Pietropolli Charmet, A., Giorgianni, Santi, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 170 KB

english, 2006

38

Insights into the interaction between CH2F2 and titanium dioxide: DRIFT spectroscopy and DFT analysis of the adsorption energetics

Scaranto, Jessica, Moro, Daniele, Tasinato, Nicola, Stoppa, Paolo, Giorgianni, Santi

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 780 KB

english, 2015

39

Study of the Vibrational Spectra and Absorption Cross Sections of 1-chloro-1-fluoroethene by a Joint Experimental and Ab Initio Approach

Pietropolli Charmet, Andrea, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

40

Spectroscopic measurements of SO[sub 2] line parameters in the 9.2 μm atmospheric region and theoretical determination of self-broadening coefficients

Tasinato, Nicola, Charmet, Andrea Pietropolli, Stoppa, Paolo, Giorgianni, Santi, Buffa, Giovanni

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 769 KB

english, 2010

41

Adsorption of difluoromethane on titanium dioxide: Investigation of the FTIR spectra and quantum-mechanical studies of the adsorbate–substrate structures

Jessica Scaranto, Santi Giorgianni

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 477 KB

english, 2009

42

N2-, O2- and He-collision-induced broadening of sulfur dioxide ro-vibrational lines in the 9.2μm atmospheric window

Tasinato, Nicola, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Buffa, Giovanni

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

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