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1

Bifunctional Catalysis by Natural Cinchona Alkaloids: A Mechanism Explained

Clotilde S. Cucinotta, Monica Kosa, Paolo Melchiorre, Andrea Cavalli, Francesco L. Gervasio

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 368 KB

english, 2009

2

Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

Paolo Raiteri, Giovanni Bussi, Clotilde S. Cucinotta, Alberto Credi, J. Fraser Stoddart, Michele Parrinello

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 692 KB

english, 2008

3

Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

Paolo Raiteri, Giovanni Bussi, Clotilde S. Cucinotta, Alberto Credi, J. Fraser Stoddart, Michele Parrinello

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 692 KB

english, 2008

4

Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution

Clotilde S. Cucinotta , Alice Ruini , Alessandra Catellani , András Stirling

Journal:

Year:

2006

Language:

english

File:

PDF, 290 KB

english, 2006

5

Ab Initio Study of Chemisorption Reactions for Carboxylic Acids on Hydrogenated Silicon Surfaces

Cucinotta, Clotilde S., Ruini, Alice, Caldas, Marilia J., Molinari, Elisa

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 158 KB

english, 2004

6

Solvent Exfoliation of Transition Metal Dichalcogenides: Dispersibility of Exfoliated Nanosheets Varies Only Weakly between Compounds

Cunningham, Graeme, Lotya, Mustafa, Cucinotta, Clotilde S., Sanvito, Stefano, Bergin, Shane D., Menzel, Robert, Shaffer, Milo S. P., Coleman, Jonathan N.

Journal:

Year:

2012

Language:

english

File:

PDF, 4.25 MB

english, 2012

7

First Principles Study of the LiNH 2 /Li 2 NH Transformation

Miceli, Giacomo, Cucinotta, Clotilde S., Bernasconi, Marco, Parrinello, Michele

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.94 MB

english, 2010

8

Ab Initio Exploration of Rearrangement Reactions: Intramolecular Hydrogen Scrambling Processes in Acetone

Cucinotta, Clotilde S., Ruini, Alice, Catellani, Alessandra, Stirling, András

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 217 KB

english, 2006

9

First Principles Study of Electron Tunneling through Ice

Cucinotta, Clotilde S., Rungger, Ivan, Sanvito, Stefano

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.65 MB

english, 2012

10

First Principles Study of Hydrogen Desorption from the NaAlH 4 Surface Doped by Ti Clusters

Miceli, Giacomo, Guzzo, Matteo, Cucinotta, Clotilde, Bernasconi, Marco

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.22 MB

english, 2012

11

Correction to “First Principles Study of the LiNH 2 /Li 2 NH Transformation”

Miceli, Giacomo, Cucinotta, Clotilde S., Bernasconi, Marco, Parrinello, Michele

Journal:

The Journal of Physical Chemistry C

Year:

2012

File:

PDF, 123 KB

2012

12

Anode of Solid Oxide Fuel Cells from First Principles

Cucinotta, Clotilde S., Bernasconi, Marco, Parrinello, Michele

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

13

Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study

Cucinotta, Clotilde S., Ruini, Alice, Molinari, Elisa, Pignedoli, Carlo A., Catellani, Alessandra, Caldas, Marilia J.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.27 MB

english, 2008

14

Superionic Conduction in Substoichiometric LiAl Alloy: An Ab Initio Study

Cucinotta, Clotilde S., Miceli, Giacomo, Raiteri, Paolo, Krack, Matthias, Kühne, Thomas D., Bernasconi, Marco, Parrinello, Michele

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 478 KB

english, 2009

15

Tailoring the electronic properties of silicon with cysteine: A first-principles study

Cucinotta, Clotilde S., Ruini, Alice, Catellani, Alessandra, Caldas, Marilia J.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 519 KB

english, 2005

16

Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts

Knirsch, Kathrin C., Berner, Nina C., Nerl, Hannah C., Cucinotta, Clotilde S., Gholamvand, Zahra, McEvoy, Niall, Wang, Zhenxing, Abramovic, Irena, Vecera, Philipp, Halik, Marcus, Sanvito, Stefano, Due

Journal:

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

17

Electronic Properties and Chemical Reactivity of TiS 2 Nanoflakes

Cucinotta, Clotilde S., Dolui, Kapildeb, Pettersson, Henrik, Ramasse, Quentin M., Long, Edmund, O’Brian, Sean E., Nicolosi, Valeria, Sanvito, Stefano

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.60 MB

english, 2015

18

[AIP PHYSICS OF SEMICONDUCTORS: 27th International Conference on the Physics of Semiconductors - ICPS-27 - Flagstaff, Arizona (USA) (26-30 July 2004)] AIP Conference Proceedings - Saturated carboxylic acids on silicon: a first-principles study

Cucinotta, Clotilde

Year:

2005

Language:

english

File:

PDF, 143 KB

english, 2005

19

Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics

Hanlon, Damien, Backes, Claudia, Doherty, Evie, Cucinotta, Clotilde S., Berner, Nina C., Boland, Conor, Lee, Kangho, Harvey, Andrew, Lynch, Peter, Gholamvand, Zahra, Zhang, Saifeng, Wang, Kangpeng, Mo

Journal:

Nature Communications

Year:

2015

Language:

english

File:

PDF, 1.89 MB

english, 2015

20

Current-induced phonon renormalization in molecular junctions

Bai, Meilin, Cucinotta, Clotilde S., Jiang, Zhuoling, Wang, Hao, Wang, Yongfeng, Rungger, Ivan, Sanvito, Stefano, Hou, Shimin

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 653 KB

english, 2016

21

An in situ and ex situ TEM study into the oxidation of titanium (IV) sulphide

Long, Edmund, O’Brien, Sean, Lewis, Edward A., Prestat, Eric, Downing, Clive, Cucinotta, Clotilde S., Sanvito, Stefano, Haigh, Sarah J., Nicolosi, Valeria

Journal:

npj 2D Materials and Applications

Year:

2017

Language:

english

File:

PDF, 6.09 MB

english, 2017