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1

Recent advances in functionalized micro and mesoporous carbon materials: synthesis and applications

Benzigar, Mercy R., Talapaneni, Siddulu Naidu, Joseph, Stalin, Ramadass, Kavitha, Singh, Gurwinder, Scaranto, Jessica, Ravon, Ugo, Al-Bahily, Khalid, Vinu, Ajayan

Journal:

Chemical Society Reviews

Year:

2018

Language:

english

File:

PDF, 6.86 MB

english, 2018

2

Controlled Surface Segregation Leads to Efficient Coke-Resistant Nickel/Platinum Bimetallic Catalysts for the Dry Reforming of Methane

Li, Lidong, Zhou, Lu, Ould-Chikh, Samy, Anjum, Dalaver H., Kanoun, Mohammed B., Scaranto, Jessica, Hedhili, Mohamed N., Khalid, Syed, Laveille, Paco V., D'Souza, Lawrence, Clo, Alain, Basset, Jean-Mar

Journal:

Year:

2015

Language:

english

File:

PDF, 3.59 MB

english, 2015

3

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

4

Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study

Herron, Jeffrey A., Scaranto, Jessica, Ferrin, Peter, Li, Sha, Mavrikakis, Manos

Journal:

Year:

2014

Language:

english

File:

PDF, 512 KB

english, 2014

5

HCOOH decomposition on Pt(111): A DFT study

Scaranto, Jessica, Mavrikakis, Manos

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 3.25 MB

english, 2015

6

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

Vummaleti, Sai Vikrama Chaitanya, Al-Ghamdi, Miasser, Poater, Albert, Falivene, Laura, Scaranto, Jessica, Beetstra, Dirk J., Morton, Jason G., Cavallo, Luigi

Journal:

Organometallics

Year:

2015

Language:

english

File:

PDF, 1.88 MB

english, 2015

7

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

8

Facile Synthesis of Palladium Right Bipyramids and Their Use as Seeds for Overgrowth and as Catalysts for Formic Acid Oxidation

Xia, Xiaohu, Choi, Sang-Il, Herron, Jeffrey A., Lu, Ning, Scaranto, Jessica, Peng, Hsin-Chieh, Wang, Jinguo, Mavrikakis, Manos, Kim, Moon J., Xia, Younan

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 3.34 MB

english, 2013

9

The Effect of Uranium Cations on the Redox Properties of CeO2Within the Context of Hydrogen Production from Water

Scaranto, Jessica, Idriss, Hicham

Journal:

Topics in Catalysis

Year:

2015

Language:

english

File:

PDF, 650 KB

english, 2015

10

Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance

Kurnikova, Maria G., Sakipov, Serzhan, Kottke, Christopher, Narangoda, Chamali, Scaranto, Jessica

Journal:

Biophysical Journal

Year:

2020

File:

PDF, 45 KB

2020

11

DFT studies of bulk and surfaces of the electrocatalyst cobalt phosphide CoP2

Scaranto, Jessica, Idriss, Hicham

Journal:

Chemical Physics Letters: X

Year:

2019

File:

PDF, 1017 KB

2019

12

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

13

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

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

Density functional theory studies of HCOOH decomposition on Pd(111)

Scaranto, Jessica, Mavrikakis, Manos

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 2.45 MB

english, 2015

17

A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects

Choi, Sang-Il, Herron, Jeffrey A., Scaranto, Jessica, Huang, Hongwen, Wang, Yi, Xia, Xiaohu, Lv, Tian, Park, Jinho, Peng, Hsin-Chieh, Mavrikakis, Manos, Xia, Younan

Journal:

Year:

2015

Language:

english

File:

PDF, 3.60 MB

english, 2015

18

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

19

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

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

On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts

Li, Sha, Scaranto, Jessica, Mavrikakis, Manos

Journal:

Topics in Catalysis

Year:

2016

Language:

english

File:

PDF, 3.85 MB

english, 2016

22

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

23

Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

Roling, Luke T., Scaranto, Jessica, Herron, Jeffrey A., Yu, Huaizhe, Choi, Sangwook, Abbott, Nicholas L., Mavrikakis, Manos

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 517 KB

english, 2016

24

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

25

Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study

Elnabawy, Ahmed O., Herron, Jeffrey A., Scaranto, Jessica, Mavrikakis, Manos

Journal:

Journal of The Electrochemical Society

Year:

2018

Language:

english

File:

PDF, 1.40 MB

english, 2018

26

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

27

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

28

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

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