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1

Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100)

Quintas-Sánchez, E., Larrégaray, P., Crespos, C., Martin-Gondre, L., Rubayo-Soneira, J., Rayez, J.-C.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.61 MB

english, 2012

2

Effects of the boundary conditions in the problem of a quantum well under electric field

R. Pérez-Alvarez, J. Rubayo-Soneira

Journal:

Superlattices and Microstructures

Year:

1995

File:

PDF, 154 KB

1995

3

Vibrational predissociation of I2Ne. A quasiclassical dynamical study

J. Rubayo-Soneira, A. García-Vela, G. Delgado-Barrio, P. Villarreal

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 456 KB

english, 1995

4

Dynamics of exciplex formation in rare gas media

Germán Rojas-Lorenzo, Jesús Rubayo-Soneira, Sebastián Fernández Alberti

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 905 KB

english, 2009

5

The intermolecular potential of NO(A2Σ)–Ne: An ab initio study

Pedro Pajón-Suárez, Germán Rojas-Lorenzo, Jesús Rubayo-Soneira, Ramón Hernández-Lamoneda

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 287 KB

english, 2006

6

An effective temperature approach for molecular dynamics simulations of quantum solids

Ll. Uranga-Piña, A. Martínez-Mesa, J. Rubayo-Soneira, G. Rojas-Lorenzo

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 405 KB

english, 2006

7

Testing LiAr interaction through the relaxation dynamics of lithium doped argon matrices: Intermediate energy barrier of the C2Σ+ state

A. Martínez-Mesa, Ll. Uranga-Piña, G. Rojas-Lorenzo, J. Rubayo-Soneira

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 380 KB

english, 2006

8

The state of NO–Ne

Victoria L. Ayles, Richard J. Plowright, Mark J. Watkins, Timothy G. Wright, Jacek Kłos, Millard H. Alexander, Pedro Pajón-Suárez, Jesús Rubayo-Soneira, Ramón Hernández-Lamoneda

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 890 KB

english, 2007

9

Vibrational predissociation of van der Waals complexes: Quasi-classical results with Gaussian-weighted trajectories

M.L. González-Martínez, W. Arbelo-González, J. Rubayo-Soneira, L. Bonnet, J.-C. Rayez

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 232 KB

english, 2008

10

NO in Kr and Xe solids: Molecular dynamics and normal mode analysis

J.C. Castro Palacio, L. Velazquez Abad, G. Rojas-Lorenzo, J. Rubayo-Soneira

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 250 KB

english, 2005

11

Ultrafast expansion and vibrational coherences of electronic `Bubbles' in solid neon

F. Vigliotti, L. Bonacina, M. Chergui, G. Rojas-Lorenzo, J. Rubayo-Soneira

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 152 KB

english, 2002

12

Geometrical description of Hamiltonian chaos in low dimensional systems. The Ne⋯I2 model case

R. Sospedra-Alfonso, L. Velázquez, J. Rubayo-Soneira

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 390 KB

english, 2003

13

A variational method to treat diffuse states in weakly bound trimers

T. González-Lezana, S. Miret-Artés, G. Delgado-Barrio, P. Villarreal, J. Rubayo-Soneira, I. Baccarelli, F. Paesani, F.A. Gianturco

Journal:

Computer Physics Communications

Year:

2002

Language:

english

File:

PDF, 322 KB

english, 2002

14

Dynamics of structural relaxation upon Rydberg excitation of an NO impurity in rare gas solid matrices

J. Rubayo-Soneira, J. C. Castro-Palacios, G. Rojas-Lorenzo

Journal:

physica status solidi (b)

Year:

2005

Language:

english

File:

PDF, 162 KB

english, 2005

15

Molecular dynamics simulations and hyperspherical mode analysis of NO in Kr crystals with the use of ab initio potential energy surfaces for the Kr-NO complex

Juan Carlos Castro Palacio, Jesús Rubayo-Soneira, Andrea Lombardi, Vincenzo Aquilanti

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 347 KB

english, 2008

16

Femtosecond response in rare gas matrices doped with NO impurities: A stochastic approach

G. Rojas-Lorenzo, A.S. Sanz, J. Rubayo-Soneira, S. Miret-Artés

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 293 KB

english, 2010

17

An ab initio study of Xe–NO(X2II) and Xe–NO(A2Σ+) potential energy surfaces

Juan Carlos Castro-Palacio, Keisaku Ishii, Jesús Rubayo-Soneira, Koichi Yamashita

Journal:

Procedia Computer Science

Year:

2011

Language:

english

File:

PDF, 769 KB

english, 2011

18

Study of the structural photoinduced dynamics of a solid Kr matrix with an NO impurity

J.C.Castro Palacios, L. Velazquez, G. Rojas-Lorenzo, J. Rubayo-Soneira

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2003

Language:

english

File:

PDF, 340 KB

english, 2003

19

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

W. Arbelo-González, L. Bonnet, P. Larrégaray, J.-C. Rayez, J. Rubayo-Soneira

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 321 KB

english, 2012

20

Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach

L. Uranga-Piña, C. Meier, J. Rubayo-Soneira

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 744 KB

english, 2012

21

A New ab Initio Potential Energy Surface for Studying Vibrational Relaxation in NO( v ) + NO Collisions

Pajón-Suárez, Pedro, Rubayo-Soneira, Jesús, Hernández-Lamoneda, Ramón

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.00 MB

english, 2011

22

An ab initio study of the Ar–NO(A [sup 2]Σ[sup +]) intermolecular potential

Castro-Palacio, Juan Carlos, Ishii, Keisaku, Rubayo-Soneira, Jesús, Yamashita, Koichi

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 561 KB

english, 2009

23

Aluminum Distribution in Low Si/Al Zeolites: Dehydrated Na−Clinoptilolite

Ruiz-Salvador, A. Rabdel, Lewis, Dewi W., Rubayo-Soneira, Jesús, Rodríguez-Fuentes, Gerardo, Sierra, L. Rene, Catlow, C. Richard A.

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 124 KB

english, 1998

24

Fragmentation dynamics of NO–NO dimer: A quasiclassical dynamics study

Borrell-Grueiro, Olivia, Márquez-Mijares, Maykel, Pajón-Suárez, Pedro, Hernández-Lamoneda, Ramón, Rubayo-Soneira, Jesús

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 287 KB

english, 2013

25

Quasi-classical trajectory calculations of cross sections and rate constants for the Si+OH→SiO+H reaction

Rivero-Santamaría, A., Dayou, F., Rubayo-Soneira, J., Monnerville, M.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 554 KB

english, 2014

26

Hydrogen Physisorption on Carbon Foams upon Inclusion of Many-Body and Quantum Delocalization Effects

Martínez-Mesa, A., Zhechkov, L., Yurchenko, S. N., Heine, T., Seifert, G., Rubayo-Soneira, J.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.13 MB

english, 2012

27

Argon Solid Response upon Rydberg Photoexcitation of the NO Chromosphore: Case of Using ab Initio Potential Energy Surfaces and Comparison to Similar Studied Systems †

Castro-Palacio, Juan Carlos, Ishii, Keisaku, Ayala-Mató, Fernando, Rubayo-Soneira, Jesús, Yamashita, Koichi

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 479 KB

english, 2010

28

First-Principles Study of the Interaction between NO and Large Carbonaceous Clusters Modeling the Soot Surface

Garcia-Fernandez, C., Picaud, S., Rayez, M. T., Rayez, J. C., Rubayo-Soneira, J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.50 MB

english, 2014

29

Nonadiabatic Dynamics of Excited Hg( 3 P 1 ) in Ar Matrixes †

Rojas-Lorenzo, Germán, Rubayo-Soneira, Jesús, Fernández Alberti, Sebastián, Chergui, Majed

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 113 KB

english, 2003

30

An ab Initio Calculation of the Valence Excitation Spectrum of H 2 O···Cl 2 : Comparison to Condensed Phase Spectra †

Franklin-Mergarejo, Ricardo, Rubayo-Soneira, Jesus, Halberstadt, Nadine, Ayed, Tahra, Bernal Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 860 KB

english, 2009

31

Large Shift and Small Broadening of Br 2 Valence Band upon Dimer Formation with H 2 O: An Ab Initio Study

Franklin-Mergarejo, Ricardo, Rubayo-Soneira, Jesus, Halberstadt, Nadine, Ayed, Tahra, Bernal-Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

32

Quasi-classical trajectories study of Ne79Br2(B) vibrational predissociation

Gonz?lez-Mart?nez, M. L., Rubayo-Soneira, J., Janda, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 639 KB

english, 2006

33

The O(1D) + H2 (X 1Σ+, v, j) → OH(X 2Π, v′, j′) + H(2S) reaction at low collision energy: when a simple statistical description of the dynamics works

Rivero-Santamaría, A., González-Martínez, M. L., González-Lezana, T., Rubayo-Soneira, J., Bonnet, L., Larrégaray, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.42 MB

english, 2011

34

Effective temperature representation of quantum delocalization effects on the dynamics of NO(A2Σ+←X2Π+) photoexcitation in Ne matrices

Uranga-Piña, Ll., Martínez-Mesa, A., García-Reyes, L., Rubayo-Soneira, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 764 KB

english, 2009

35

A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations

Márquez-Mijares, M., Pérez de Tudela, R., González-Lezana, T., Roncero, O., Miret-Artés, S., Delgado-Barrio, G., Villarreal, P., Baccarelli, I., Gianturco, F. A., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 568 KB

english, 2009

36

Comparative configurational study for He, Ne, and Ar trimers

González-Lezana, T., Rubayo-Soneira, J., Miret-Artés, S., Gianturco, F. A., Delgado-Barrio, G., Villarreal, P.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 641 KB

english, 1999

37

Trimers?

González-Lezana, T., Rubayo-Soneira, J., Miret-Artés, S., Gianturco, F. A., Delgado-Barrio, G., Villarreal, P.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 165 KB

english, 1999

38

Quasiclassical dynamics of the I2–Ne2 vibrational predissociation: A comparison with experiment

García-Vela, A., Rubayo-Soneira, J., Delgado-Barrio, G., Villarreal, P.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 413 KB

english, 1996

39

González-Lezana et al. Reply:

González-Lezana, T., Rubayo-Soneira, J., Miret-Artés, S., Gianturco, F. A., Delgado-Barrio, G., Villarreal, P.

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 41 KB

english, 2001

40

Lifetime lengthening of molecular Rydberg states in the condensed phase

Vigliotti, F., Zerza, G., Chergui, M., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 400 KB

english, 1998

41

Photodissociation of NeBr[sub 2](B) below and above the dissociation limit of Br[sub 2](B)

Roncero, Octavio, Campos-Martı́nez, José, Hernández, Marta I., Delgado-Barrio, Gerardo, Villarreal, Pablo, Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 484 KB

english, 2001

42

Cartesian coupled coherent states simulations: NenBr2 dissociation as a test case

Reed, Stewart K., González-Martínez, Maykel L., Rubayo-Soneira, Jesús, Shalashilin, Dmitrii V.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 980 KB

english, 2011

43

Ultrafast structural dynamics in electronically excited solid neon. II. Molecular-dynamics simulations of the electronic bubble formation

Rojas-Lorenzo, G., Rubayo-Soneira, J., Vigliotti, F., Chergui, M.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 99 KB

english, 2003

44

Response of solid Ne upon photoexcitation of a NO impurity: A quantum dynamics study

Uranga-Piña, Ll., Meier, C., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.05 MB

english, 2011

45

Quasi-classical trajectories study of Ne2Br2(B) vibrational predissociation: Kinetics and product distributions

Arbelo-González, Wilmer, González-Martínez, Maykel L., Reed, Stewart K., Rubayo-Soneira, Jesús, Shalashilin, Dmitrii V.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 4.81 MB

english, 2012

46

The medium response to an impulsive redistribution of charge in solid argon: Molecular dynamics simulations and normal mode analysis

Jimenez, S., Chergui, M., Rojas-Lorenzo, G., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 538 KB

english, 2001

47

On the Local Relaxation of Solid Neon upon Rydberg Excitation of a NO Impurity: The Role of the NO(A)−Ne Interaction Potential and Zero-Point Quantum Delocalization †

Pajón-Suárez, Pedro, Rojas-Lorenzo, Germán A., Rubayo-Soneira, Jesús, Hernández-Lamoneda, Ramón, Larrégaray, Pascal

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 375 KB

english, 2009

48

Ab initio ground and excited state potential energy surfaces for NO–Kr complex and dynamics of Kr solids with NO impurity

Castro-Palacios, Juan Carlos, Rubayo-Soneira, Jesús, Ishii, Keisaku, Yamashita, Koichi

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 487 KB

english, 2007

49

Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)

Quintas-Sánchez, E., Crespos, C., Larrégaray, P., Rayez, J-C., Martin-Gondre, L., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

50

Transformation from angle-action variables to Cartesian coordinates for polyatomic reactions

González-Martínez, M. L., Bonnet, L., Larrégaray, P., Rayez, J.-C., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 212 KB

english, 2009

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