2023

19. Alcaraz-Torres, A., Gamboa-Suárez, A., Hernández-Cobos, J., &

Hernández-Lamoneda, R*. (2023). Local structure of liquid oxygen up to

supercritical conditions from ab initio pair potentials. Physical Review B,

107(13), 134304. DOI: 10.1103/PhysRevB.107.134304

2022

18. Gamboa-Suárez, A.; Seuret-Hernández, H. Y.; Leyssale, J.-M.* Mechanical

Properties of Pristine and Nanocrystalline Graphene up to Ultra-High

Temperatures. Carbon Trends 2022, 9, 100197. DOI:

10.1016/j.cartre.2022.100197.

17. Seuret-Hernández, H. Y.; Gamboa-Suaréz, A.; Morera-Boado, C.* A DFT

Study of the Adsorption and Surface Enhanced Raman Spectroscopy of

Pyridine on Au20, Ag20, and Bimetallic Ag8Au12 Clusters. J. Mol. Graph.

Model. 2022, 115, 108234. DOI: 10.1016/j.jmgm.2022.108234.

16. Ochoa-Resendiz, D.; Gamboa-Suárez, A.; Hernández-Lamoneda, R*.

Halogen Bonding and Rotational Disorder in Chlorine Clathrate Hydrate

Cages. J. Chem. Phys. 2022. DOI: 10.1063/5.0082604.

2020

15. Morera-Boado, C.; Gamboa-Suárez, A.; Bernal-Uruchurtu, M. I*.;

Hernandez-Lamoneda, R.* Density Functional Study on the Fundamental and

Valence Excited States of Dibromine in T , P , and H Clathrate Cages. J. Phys.

Chem. A 2020, acs.jpca.0c05360 DOI: 10.1021/acs.jpca.0c05360

2018

14. Falvo, C.*; Gamboa-Suárez, A.; Cazayus-Claverie, S.; Parneix, P.; Calvo, F.

Isomerization Kinetics of Flexible Molecules in the Gas Phase: Atomistic versus

Coarse-Grained Sampling. J. Chem. Phys. 2018, 149 (7), 072334. DOI:

10.1063/1.5026688

2017

13. Alcaraz-Torres, A.; Gamboa-Suárez, A.; Bernal-Uruchurtu, M. I.* Is Br2

Hydration Hydrophobic? J. Chem. Phys. 2017, 146 (8), 84501. DOI:

10.1063/1.4975688

12. Batista-Romero, F. A.; Gamboa-Suárez, A.; Hernández-Lamoneda, R.*; Janda,

K. C. Nature of the Valence Excited States of Bromine in the T and P Clathrate

Cages. J. Chem. Phys. 2017, 146 (14), 144311. DOI: 10.1063/1.4979909

11. Parneix, P.*; Gamboa, A.; Falvo, C.; Bonnin, M. A.; Pino, T.; Calvo, F.

Dehydrogenation Effects on the Stability of Aromatic Units in Polycyclic Aromatic

Hydrocarbons in the Interstellar Medium: A Computational Study at Finite

Temperature. Mol. Astrophys. 2017, 7, 9–18. DOI: 10.1016/j.molap.2017.05.001

2015

10. Gamboa, A.; Vignoles, G. L.; Leyssale, J.-M.* On the Prediction of Graphene’s

Elastic Properties with Reactive Empirical Bond Order Potentials. Carbon N. Y.

2015, 89, 176–187. DOI: 10.1016/j.carbon.2015.03.035

9. Gamboa, A.; Farbos, B.; Aurel, P.; Vignoles, G. L.; Leyssale, J.-M.* Mechanism

of Strength Reduction along the Graphenization Pathway. Sci. Adv. 2015, 1

(10), e1501009. DOI: 10.1126/sciadv.1501009

2014

8. Martin-Drumel, M. A.*; Pirali, O.; Falvo, C.; Parneix, P.; Gamboa, A.; Calvo, F.;

Bréchignac, P. Low-Energy Vibrational Spectra of Flexible Diphenyl Molecules:

Biphenyl, Diphenylmethane, Bibenzyl and 2-, 3-and 4-Phenyltoluene. Phys.

Chem. Chem. Phys. 2014, 16 (40), 22062–22072. DOI: 10.1039/C4CP03278K 

7. Wairegi, A.; Gamboa, A.; Burbanks, A. D.; Lee, E. A.; Farrelly, D.* Microscopic

Superfluidity in He 4 Clusters Stirred by a Rotating Impurity Molecule. Phys.

Rev. Lett. 2014, 112 (14), 143401. DOI: 10.1103/PhysRevLett.112.143401

2013

6. Gamboa, A.*; Rapacioli, M.; Spiegelman, F. Automatic Differentiation of the

Energy within Self-Consistent Tight-Binding Methods. J. Chem. Theory Comput.

2013, 9 (9), 3900–3907. DOI: 10.1021/ct400214b

2011

5. Suárez, A. G.; Ramilowski, J. A.; Benito, R. M.; Farrelly, D.* Renormalization

of the Rotational Constants of an Ammonia Molecule Seeded into a 4 He

Droplet. Chem. Phys. Lett. 2011, 502 (1), 14–22. DOI:

10.1016/j.cplett.2010.12.006

2010

4. Suárez, A. G.; Hestroffer, D.; Farrelly, D.* Formation of the Extreme Kuiper-

Belt Binary 2001 QW322 through Adiabatic Switching of Orbital Elements.

Celest. Mech. Dyn. Astron. 2010, 106 (3), 245–259. DOI: 10.1007/s10569-010-

9257-7

2009

3. Gamboa, A.; Hernández, H.; Ramilowski, J. A.; Losada, J. C.; Benito, R. M.;

Borondo, F.; Farrelly, D.* Chaos in the Classical Mechanics of Bound and

Quasi-Bound HX–4 He Complexes with X= F, Cl, Br, CN. Phys. Chem. Chem.

Phys. 2009, 11 (37), 8203–8213. DOI: 10.1039/B902486G 

2004

2. Arranz Merino, F.*; Gamboa Suarez, A.; Burón Fernández, Y.; Ricón Ricón, E.;

El, I. I. Y. E. E. N.; Teorema, O.; Desigualdad, D. E. C. TECNOLOGÍ@ Y

DESARROLLO. 2004. PDF

1. Arranz Merino, F.*; Gamboa Suarez, A.; Burón Fernández, Y.; Ricón Ricón, E.;

Ciclos, T. E. P. C. C. O. N.; Carnot, D. E. TECNOLOGÍ@ Y DESARROLLO.

2004. PDF

Publicaciones en libros (capítulos)

1. Gamboa, A.; Simulación de la fractura de grafeno policristalino mediante la

utilización de potenciales reactivos empíricos. XXIII Escuela de verano en física,

2016 pp 79–105.

PROYECTOS

• Proyecto de Frontera Conacyt Fordecyt-Pronaces 549489 - Efectos de los dobles enlaces C=C en la fragmentación compleja de sustitutos de biodiesel y en la corrosión en ausencia de oxígeno inducida por sus fragmentos resultantes en superficies metálicas 

Modalidad Grupo

Vigencia 2021-2024