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1

On the applicability of cluster models to study the chemical reactivity of carbon nanotubes

Pablo A. Denis, Federico Iribarne

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 189 KB

english, 2011

2

Eutrophication and macroalgal blooms in temperate and tropical coastal waters: nutrient enrichment experiments with Ulva spp.

MIRTA TEICHBERG, SOPHIA E. FOX, YLVA S. OLSEN, IVAN VALIELA, PAULINA MARTINETTO, OSCAR IRIBARNE, ELIZABETI YURIKO MUTO, MONICA A. V. PETTI, THAÏS N. CORBISIER, MARTÍN SOTO-JIMÉNEZ, FEDERICO PÁEZ-OSUNA

Journal:

Global Change Biology

Year:

2010

Language:

english

File:

PDF, 849 KB

english, 2010

3

Theoretical Investigation of Carbon–Sulfur Triple Bonds

Dr. Pablo A. Denis, Dr. Federico Iribarne

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 286 KB

english, 2011

4

Computer assisted design of potentially active anti-trypanosomal compounds

Margot Paulino, Federico Iribarne, Marı́a Hansz, Mauricio Vega, Gustavo Seoane, Hugo Cerecetto, Rossanna Di Maio, Ignez Caracelli, Julio Zukerman-Schpector, Claudio Olea, Andrés O.M. Stoppani, Mathew

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

5

The 1,3 dipolar cycloaddition of azomethine ylides to graphene, single wall carbon nanotubes, and C60

Pablo A. Denis, Federico Iribarne

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 181 KB

english, 2010

6

Addition of sulfur radicals to fullerenes

Pablo A. Denis, Federico Iribarne

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 695 KB

english, 2011

7

Docking and molecular dynamics studies at trypanothione reductase and glutathione reductase active sites

Federico Iribarne, Margot Paulino, Sara Aguilera, Miguel Murphy, Orlando Tapia

Journal:

Journal of Molecular Modeling

Year:

2002

Language:

english

File:

PDF, 349 KB

english, 2002

8

On the hydrogen addition to graphene

Pablo A. Denis, Federico Iribarne

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 1.07 MB

english, 2009

9

Thiophene adsorption on Single Wall Carbon Nanotubes and graphene

Pablo A. Denis, Federico Iribarne

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 635 KB

english, 2010

10

A First-Principles Study on the Interaction between Alkyl Radicals and Graphene

Dr. Pablo A. Denis, Dr. Federico Iribarne

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 882 KB

english, 2012

11

Physical effects of an invading reef-building polychaete on an Argentinean estuarine environment

Evangelina Schwindt, Oscar Osvaldo Iribarne, Federico Ignacio Isla

Journal:

Estuarine, Coastal and Shelf Science

Year:

2004

Language:

english

File:

PDF, 487 KB

english, 2004

12

[2 + 2] Cycloadditions onto graphene

Denis, Pablo A., Iribarne, Federico

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 557 KB

english, 2012

13

How is the stacking interaction of bilayer graphene affected by the presence of defects?

Pablo A. Denis, Ricardo Faccio, Federico Iribarne

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 729 KB

english, 2012

14

Hydrogenated double wall carbon nanotubes

Denis, Pablo A., Iribarne, Federico, Faccio, Ricardo

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 697 KB

english, 2009

15

Monolayer and Bilayer Graphene Functionalized with Nitrene Radicals

Denis, Pablo A., Iribarne, Federico

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.17 MB

english, 2011

16

Cooperative behavior in functionalized graphene: Explaining the occurrence of 1,3 cycloaddition of azomethine ylides onto graphene

Denis, Pablo A., Iribarne, Federico

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 866 KB

english, 2012

17

C2V or C6V: Which is the most stable structure of the benzene–lithium complex?

Denis, Pablo A., Iribarne, Federico

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 393 KB

english, 2013

18

Comparative Study of Defect Reactivity in Graphene

Denis, Pablo A., Iribarne, Federico

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 866 KB

english, 2013

19

Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene

Denis, Pablo A., Iribarne, Federico

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 684 KB

english, 2014

20

Theoretical characterization of sulfur and nitrogen dual-doped graphene

Denis, Pablo A., Huelmo, C. Pereyra, Iribarne, Federico

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

21

Theoretical investigation of the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) dimer

Denis, Pablo A., Iribarne, Federico

Journal:

Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 551 KB

english, 2015

22

Hydrogen storage in doped biphenylene based sheets

Denis, Pablo A., Iribarne, Federico

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 774 KB

english, 2015

23

Strong N-Doped Graphene: The Case of 4-(1,3-Dimethyl-2,3-dihydro-1 H -benzoimidazol-2-yl)phenyl)dimethylamine ( N -DMBI)

Denis, Pablo A., Iribarne, Federico

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.19 MB

english, 2015

24

Analysis of cyclosporin A and a set of analogs as inhibitors of a T. cruzi cyclophilin by docking and molecular dynamics

Carraro, Roberto, Iribarne, Federico, Paulino, Margot

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

25

Towards the understanding of the molecular basis for the inhibition of COX-1 and COX-2 by phenolic compounds present in Uruguayan propolis and grape pomace

Paulino, Z. Margot, Alvareda, Elena, Iribarne, Federico, Miranda, Pablo, Espinosa, F. Victoria, Aguilera, Sara, Pardo, Helena

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 2.32 MB

english, 2015

26

Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements

Denis, Pablo A., Iribarne, Federico

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 951 KB

english, 2016

27

Buckycatcher polymer versus fullerene-buckycatcher complex: Which is stronger?

Denis, Pablo A., Iribarne, Federico

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 344 KB

english, 2015

28

Bond dissociation energies and enthalpies of formation of flavonoids: A G4 and M06-2X investigation

Alvareda, Elena, Denis, Pablo A., Iribarne, Federico, Paulino, Margot

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 513 KB

english, 2016

29

The effect of the dopant nature on the reactivity, interlayer bonding and electronic properties of dual doped bilayer graphene

Denis, Pablo A., Iribarne, Federico

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.39 MB

english, 2016

30

On the band gaps and effective masses of mono and dual doped monolayer graphene

Denis, Pablo A., Pereyra Huelmo, C., Iribarne, Federico

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 3.26 MB

english, 2017

31

Cycloaddition Reactions between Graphene and Fluorinated Maleimides

Denis, Pablo A., Iribarne, Federico

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.36 MB

english, 2017

32

Adsorption of polycyclic aromatic hydrocarbons and inversion barriers of curved conjugated systems inside the molecular cage ExCage 6+

Denis, Pablo A., Iribarne, Federico

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 864 KB

english, 2017

33

A New Approach to Accomplish the Covalent Functionalization of Boron Nitride Nanosheets: Cycloaddition Reactions

Denis, Pablo A., Iribarne, Federico

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 676 KB

english, 2018

34

Comparative Study of the Chemical Reactivity of Graphene and Boron Nitride Sheets

Denis, Pablo A., Iribarne, Federico

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 1.28 MB

english, 2019

35

Comparative Study of the Chemical Reactivity of Graphene and Boron Nitride Sheets

Denis, Pablo A., Iribarne, Federico

Journal:

Computational and Theoretical Chemistry

Year:

2019

File:

PDF, 1.28 MB

2019