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1

Classical dynamics study of atomic oxygen sticking on the β-cristobalite (1 0 0) surface

C. Arasa, H.F. Busnengo, A. Salin, R. Sayós

Journal:

Surface Science

Year:

2008

Language:

english

File:

PDF, 815 KB

english, 2008

2

Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

Galparsoro, Oihana, Busnengo, Heriberto Fabio, Juaristi, Joseba Iñaki, Crespos, Cédric, Alducin, Maite, Larregaray, Pascal

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

3

Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H[sub 2]+Pt(111) and H[sub 2]+Cu(100)

Olsen, R. A., Busnengo, H. F., Salin, A., Somers, M. F., Kroes, G. J., Baerends, E. J.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 460 KB

english, 2002

4

Chain-Length and Temperature Dependence of Self-Assembled Monolayers of Alkylthiolates on Au(111) and Ag(111) Surfaces

Wang, Y., Solano Canchaya, J. G., Dong, W., Alcamí, M., Busnengo, H. F., Martín, F.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

5

Hydrogen Abstraction from Metal Surfaces: When Electron-Hole Pair Excitations Strongly Affect Hot-Atom Recombination

Galparsoro, Oihana, Pétuya, Rémi, Busnengo, Heriberto Fabio, Juaristi, J. Iñaki, Crespos, Cedric, Alducin, Maite, Larregaray, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.50 MB

english, 2016

6

Distorted-wave models for electron capture in asymmetric collisions. II. Differential cross sections and the double scattering region

Busnengo, H F, Martinez, A E, Rivarola, R D, Dube, L J

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

1995

Language:

english

File:

PDF, 713 KB

english, 1995

7

Dynamics on Six-Dimensional Potential Energy Surfaces for H 2 /Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE

Díaz, C., Olsen, R. A., Busnengo, H. F., Kroes, G. J.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.96 MB

english, 2010

8

Scattering of Atomic Hydrogen Off a H-Covered W(110) Surface: Hot-Atom versus Eley–Rideal Abstraction Dynamics

Pétuya, R., Larrégaray, P., Crespos, C., Aurel, P., Busnengo, H. F., Martínez, A. E.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.11 MB

english, 2015

9

Dissociative adsorption of N2 on W(1 1 0): Theoretical study of the dependence on the incidence angle

M. Alducin, R. Díez Muiño, H.F. Busnengo, A. Salin

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 165 KB

english, 2007

10

Double electron capture in atomic collisions at intermediate and high collision energies: Contribution of capture into excited states

A.E. Martínez, H.F. Busnengo, R. Gayet, J. Hanssen, R.D. Rivarola

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1997

Language:

english

File:

PDF, 442 KB

english, 1997

11

Molecular dynamics simulations based on reactive force-fields for surface chemical reactions

X.J. Shen, Y. Xiao, W. Dong, X.H. Yan, H.F. Busnengo

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 538 KB

english, 2012

12

Energy Dissipation Effects on the Adsorption Dynamics of N 2 on W(100)

Peña-Torres, Alejandro, Busnengo, H. Fabio, Juaristi, Joseba Inaki, Larregaray, Pascal, Crespos, Cedric

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019

13

Commensurate Solid–Solid Phase Transitions in Self-Assembled Monolayers of Alkylthiolates Lying on Metal Surfaces

Wang, Y., Solano-Canchaya, J. G., Alcamí, M., Busnengo, H. F., Martín, F.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 647 KB

english, 2012

14

Inside Cover: Lowering Energy Barriers in Surface Reactions through Concerted Reaction Mechanisms (ChemPhysChem 15/2012)

Sakong, Sung, Mosch, Christian, Lozano, Ariel, Busnengo, H. Fabio, Groß, Axel

Journal:

Year:

2012

File:

PDF, 1.34 MB

2012

15

Environment-driven reactivity of H2 on PdRu surface alloys

Ramos, M., Minniti, M., Díaz, C., Farías, D., Miranda, R., Martín, F., Martínez, A. E., Busnengo, H. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.59 MB

english, 2013

16

Long-Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages

Abufager, P. N., Zampieri, G., Reuter, K., Martiarena, M. L., Busnengo, H. F.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1023 KB

english, 2014

17

scattering from Pd(111) at off-normal incidence

Díaz, C., Somers, M. F., Kroes, G. J., Busnengo, H. F., Salin, A., Martín, F.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 255 KB

english, 2005

18

Study of the interaction between short alkanethiols from ab initio calculations

Canchaya, J. G. Solano, Wang, Y., Alcamí, M., Martín, F., Busnengo, H. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.06 MB

english, 2010

19

Reactive force fields for surface chemical reactions: A case study with hydrogen dissociation on Pd surfaces

Xiao, Y., Dong, W., Busnengo, H. F.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 519 KB

english, 2010

20

Six-dimensional classical dynamics of H2 dissociative adsorption on Pd(111)

H.F. Busnengo, W. Dong, A. Salin

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 180 KB

english, 2000

21

Influence of the molecular alignment on electron capture from H2 by O8+ projectiles

H.F. Busnengo, S.E. Corchs, R.D. Rivarola, J.H. McGuire

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1995

Language:

english

File:

PDF, 322 KB

english, 1995

22

Modified Shepard interpolation method applied to trapping mediated adsorption dynamics

Abufager, P. N., Crespos, C., Busnengo, H. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1022 KB

english, 2007

23

Enhancing hydrogen evolution activity of Au(111) in alkaline media through molecular engineering of a 2D polymer

Alexa, Patrick, Lombardi, Juan Manuel, Abufager, Paula, Busnengo, Heriberto Fabio, Grumelli, Doris, Vyas, Vijay S., Haase, Frederik, Lotsch, Bettina V., Gutzler, Rico, Kern, Klaus

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.60 MB

2020

24

Comparative dynamical study of the HD and isotopomers interacting with Pd(1 1 1) and Cu(1 1 0) surfaces

C.A. Ramírez, H.F. Busnengo

Journal:

Surface Science

Year:

2009

Language:

english

File:

PDF, 490 KB

english, 2009

25

within the continuum-distorted-wave approximation

Busnengo, H. F., Corchs, S. E., Rivarola, R. D.

Journal:

Physical Review A

Year:

1997

Language:

english

File:

PDF, 124 KB

english, 1997

26

on metal surfaces

Laurent, G., Díaz, C., Busnengo, H. F., Martín, F.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 128 KB

english, 2010

27

Insights into the Nature of Formate Species in the Decomposition and Reaction of Methanol over Cerium Oxide Surfaces: A Combined Infrared Spectroscopy and Density Functional Theory Study

Lustemberg, Pablo Germán, Bosco, Marta V., Bonivardi, Adrian, Busnengo, H. Fabio, Ganduglia-Pirovano, M. Veronica

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 4.24 MB

english, 2015

28

Adsorption dynamics of H2 on Pd(100) from first principles

Gross, A., Busnengo, H. F., Lozano, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.45 MB

english, 2009

29

[Springer Series in Surface Sciences] Dynamics of Gas-Surface Interactions Volume 50 || Hydrogen Recombination on Graphitic Surfaces

Díez Muiño, Ricardo, Busnengo, Heriberto Fabio

Year:

2013

Language:

english

File:

PDF, 589 KB

english, 2013

30

Dynamics of scattering and dissociative adsorption on a surface alloy: H2/W(100)-c(2 × 2)Cu

Batista, M. N., Busnengo, H. F., Martínez, A. E.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.59 MB

english, 2011

31

Thickness Dependent Reactivity of O 2 on Cu Layers Grown on Ru(0001) Surfaces

Ramos, Maximiliano, Diaz, Cristina, Martinez, Alejandra Elisa, Martin, Fernando, Busnengo, H. Fabio

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 3.04 MB

english, 2018

32

Diffusion of a hydrogen atom on the Pd(1 1 1) surface: quantum transition state wave packet approach

I. Nikitin, W. Dong, H.F. Busnengo, A. Salin

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 321 KB

english, 2003

33

Interference effects in collisions between heavy ions and molecular targets

S.E. Corchs, H.F. Busnengo, R.D. Rivarola, J.H. McGuire

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1996

Language:

english

File:

PDF, 558 KB

english, 1996

34

The Reaction Pathways for HSCH 3 Adsorption on Au(111): A Density Functional Theory Study

Lustemberg, P. G., Martiarena, M. L., Martínez, A. E., Busnengo, H. F.

Journal:

Year:

2008

Language:

english

File:

PDF, 279 KB

english, 2008

35

from Metal Surfaces

Farías, D., Díaz, C., Rivière, P., Busnengo, H. F., Nieto, P., Somers, M. F., Kroes, G. J., Salin, A., Martín, F.

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 146 KB

english, 2004

36

Theoretical analysis of the relation between H[sub 2] dissociation and reflection on Pd surfaces

Dı́az, C., Martı́n, F., Busnengo, H. F., Salin, A.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 351 KB

english, 2004

37

Dissociative and non-dissociative adsorption of O 2 on Cu(111) and Cu ML /Ru(0001) surfaces: adiabaticity takes over

Ramos, M., Díaz, C., Martínez, A. E., Busnengo, H. F., Martín, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.49 MB

english, 2017

38

Eley–Rideal reaction dynamics between O atoms on β-cristobalite (1 0 0) surface: A new interpolated potential energy surface and classical trajectory study

C. Arasa, V. Morón, H.F. Busnengo, R. Sayós

Journal:

Surface Science

Year:

2009

Language:

english

File:

PDF, 709 KB

english, 2009

39

Importance of the multicenter character of molecular aggregates in the theoretical description of the charge transfer process

S.E. Corchs, H.F. Busnengo, R.D. Rivarola

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

40

Molecules with Thermal Energy Abundantly Dissociate on W(100) and Not on W(110)

Alducin, M., Díez Muiño, R., Busnengo, H. F., Salin, A.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 331 KB

english, 2006

41

DFT Study of Dissociative Adsorption of Hydrogen Sulfide on Cu(111) and Au(111)

Abufager, P. N., Lustemberg, P. G., Crespos, C., Busnengo, H. F.

Journal:

Year:

2008

Language:

english

File:

PDF, 222 KB

english, 2008

42

Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment

Sementa, L., Wijzenbroek, M., van Kolck, B. J., Somers, M. F., Al-Halabi, A., Busnengo, H. F., Olsen, R. A., Kroes, G. J., Rutkowski, M., Thewes, C., Kleimeier, N. F., Zacharias, H.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.08 MB

english, 2013

43

on Pd(111) and Pd(110)

Busnengo, H. F., Di Césare, M. A., Dong, W., Salin, A.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 543 KB

english, 2005

44

Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

Lozano, A., Shen, X.J., Moiraghi, R., Dong, W., Busnengo, H.F.

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

45

Total cross-sections for single electron capture from H, He and H 2 targets by impact of Be 4+ and B 5+ ions

Busnengo, H F, Corchs, S E, Martínez, A E, Rivarola, R D

Journal:

Physica Scripta

Year:

1996

Language:

english

File:

PDF, 790 KB

english, 1996

46

Comparative study of H2 adsorption on W(1 0 0)-c(2 × 2)Cu and W(1 0 0): Surface alloying effects

A.E. Martínez, W. Dong, H.F. Busnengo

Journal:

Applied Surface Science

Year:

2007

Language:

english

File:

PDF, 736 KB

english, 2007

47

Trapping, Molecular Adsorption, and Precursors for Nonactivated Chemisorption

Busnengo, H. F., Dong, W., Salin, A.

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

48

Juaristi et al. Reply:

Juaristi, J. I., Alducin, M., Muiño, R. Díez, Busnengo, H. F., Salin, A.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 36 KB

english, 2009

49

Density functional theory study of H and H[sub 2] interacting with NiAl(110)

Rivière, P., Busnengo, H. F., Martı́n, F.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.11 MB

english, 2004

50

Dynamics of N 2 sticking on W(100): The decisive role of van der Waals interactions

Peña Torres, Alejandro, Busnengo, Heriberto Fabio, Juaristi, J. Iñaki, Larregaray, P., Crespos, Cedric

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.49 MB

english, 2018

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