publicaciones

2010 – :


[55]
P. G. Jambrina ,  J. M. Alvariño ,  D. Gerlich ,  M. Hankel ,  V. J. Herrero ,  V. Sáez-Rábanos and F. J. Aoiz
        Phys. Chem. Chem. Phys 14 (2012) 3346
        Dynamics of the D+ + H2 and H+ +D2 reactions: A detailed comparison between theory and experiment


[54] J. Aldegunde, F.J. Aoiz, L. González-Sánchez, P.G. Jambrina, M.P. de Miranda and V. Sáez-Rábanos,
Phys. Chem. Chem. Phys.
14 (2012) 2911
Orientational effects in Cl + H2 inelastic collisions: characterization of the mechanism


[53] L. González-Sánchez, O. Vasyutinskii, A. Zanchet, C. Sanz-Sanz and O. Roncero,
Phys. Chem. Chem. Phys.
13 (2011) 13656
Quantum stereodynamics of Li+HF reactive collisions: the role of reactants polarization on the differential
cross section


[52] P. Bargueño, P. G. Jambrina, J. M. Alvariño, M. Menéndez, E. Verdasco, M. Hankel, S. C. Smith, F. J. Aoiz
and T.   González-Lezana
        Phys. Chem. Chem. Phys 13 (2011) 8502
Energy dependent dynamics of the O(1D)+HCl reaction: A quantum, quasiclassical and statistical study

[51] J. Aldegunde, P. Jambrina, M. P. de Miranda, V. Sáez-Rábanos and F. J. Aoiz,
Phys. Chem. Chem. Phys 13 (2011) 8345
Stereodynamics of the F+HD(v=0, j=1) reaction: direct vs resonant mechanisms

[50] L. González-Sánchez, J. Aldegunde, P.G. Jambrina and F. J. Aoiz,
J. Chem. Phys 135 (2011) 064301
Dynamical regimes on the Cl + H2 collisions: Inelastic rainbow scattering

[49] S. Faraji, S. Gómez-Carrasco y H. Köppel,
in:  Conical intersections: Theory, Computation and Experiment (W. Domcke, D. R. Yarkony and H. Köppel, Eds.)
World Scientific, Singapore (2011) ISBN-10: 9814313440
Multi-state vibronic dynamics and multiple conical intersections

[48] S. Gómez-Carrasco, T. Müller y H. Köppel,  J. Phys. Chem. A, 114 (2010) 11436
Ab initio study of the VUV photoabsorption spectrum of formaldehyde

[47] H. Ran, J. Aldegunde y J. M. Hutson,  New J. Phys.,  12 (2010) 043015
Hyperfine structure in the microwave spectra of ultracold polar dimers


[46] P. S. Zuchowski, J. Aldegunde y J. M. Hutson,  Phys. Rev. Lett. 105 (2010) 153201
Ultracold RbSr molecules can be formed by magnetoassociation

[45] J. Aldegunde, P. G. Jambrina, V. Saez-Rabanos, M. P. de Miranda y F. J. Aoiz,
Phys. Chem. Chem. Phys., 12 (2010) 13626
       Quantum mechanical mechanisms of inelastic and reactive H + D2 (v=0, j=2)

[44] P. G. Jambrina, J. M. Alvariño, F. J. Aoiz, V. J. Herrero y V. Sáez-Rábanos,
Phys. Chem. Chem. Phys., 12 (2010) 12591
       Reaction dynamics of the D+ + H2 system. A comparison of theoretical approaches

2005 – 2009:

[43] P. Bargueño, P. G. Jambrina, J. M. Alvariño, M. L. Hernández, F. J. Aoiz, M. Menéndez, J. E. Verdasco y
T. González-Lezana, J. Phys. Chem. A, 113 (2009) 14237
The dynamics of the O(1D)+HCl -> OH+Cl reaction at 0.26 eV collision energy: A comparison between theory
and experiment

[42] J. Aldegunde y J. M Hutson, Phys. Rev. A, 79 (2009) 013401
Hyperfine energy levels of alkali-metal dimers: Ground-state homonuclear molecules in magnetic filelds

[41] P. G. Jambrina, J. Aldegunde, J. F. Castillo, F. J. Aoiz y V. Saez-Rabanos,
J. Chem. Phys., 130 (2009) 031102
Vibrationally inelastic collisions of H+D2: A comparison of Quantum mechanical, quasiclassical and
experimental results


[40] J. Aldegunde, H. Ran y J. M. Hutson,  Phys. Rev. A, 80 (2009)  043410
Manipulating ultracold polar molecules with microwave radiation: the influence of hyperfine structure

[39] A. Zanchet, O. Roncero, T. González-Lezana, A. Rodríguez-López, A. Aguado, C. Sanz-Sanz y
S. Gómez-Carrasco,  J. Phys. Chem. A, 113 (2009) 14488
Differential cross sections and product rotational polarization in A+BC reactions using wave packet methods

[38] J. G. Danzl, M. J. Mark, El Haller, M. Gustavsson, R. Hart, J. Aldegunde, J. M. Hutson y H-C. Naegerl,
Nat. Phys., 6 (2010) 265
Quantum gas of rovibronic ground-state molecules in an optical lattice

[37] J. Aldegunde, F. J. Aoiz y M. P. de Miranda, Phys. Chem. Chem. Phys., 10 (2008) 1139
Quantum mechanical limits to the control of atom-diatom chemical reactions through the polarisation of the
reactants

[36] J. Aldegunde, B. A. Rivinton, P. S. Zuchowski y J. M. Hutson, Phys. Rev. A, 78 (2008) 033434
Hyperfine energy levels of alkali-metal dimers: Ground-state polar molecules in electric and magnetic filelds

[35] L. González-Sánchez, E. Bodo, E. Yurtsever y F.A. Gianturco, Eur. Phys. J. D, 48 (2008) 75
Quenching efficiency of “hot” polar molecules by He buffer gas at ultralow energies: quantum results for MgH
and LiH rotations

[34] E. García, A. Saracibar, S. Gómez-Carrasco y A. Lagana, Phys. Chem. Chem. Phys., 10 (2008) 2552
Modeling the global potential energy surface of the N+N2 reaction from ab initio data

[33] L. González-Sánchez, M. Tacconi, E. Bodo y F.A. Gianturco, Eur. Phys. J. D, 49 (2008) 85
Ionic interactions and collisions dynamics in cold traps: rotational quenching of OH-(1Sigma+) by Rb(2s)

[32] S. Gómez-Carrasco y H. Köppel, Chem. Phys., 346 (2008) 81
Ab initio study of the Renner-Teller effect in the X2Pi electronic state of the OHF- anion

[31] P. Bargueño, J. M. Alvariño y T. González-Lezana, Eur. Phys. J. D, 47 (2008) 181
On the features of statistical behaviour of the O(3P)+HCl(v=2, j=1, 6, 9)->OH+Cl reaction

[30] J. Aldegunde, F. J. Aoiz, V. Saéz-Rábanos, B. K. Kendrick y M. P. de Miranda,
Phys. Chem. Chem. Phys., 9 (2007) 5794
The canonical and other mechanisms of elementary chemical reactions

[29] L. González-Sánchez, E. Bodo,  F.A. Gianturco, Eur. Phys. J. D, 44 (2007) 65
Quenching of molecular ions by buffer He gas loading at ultralow energies: rotational cooling of OH+(3Sigma-)
from quantum calculations

[28] L. González-Sánchez, E. Bodo y F .A. Gianturco, J. Chem. Phys., 127 (2007) 244315
Collisional quenching of rotations in lithium dimers by ultralow energies: rotational cooling of OH+(3Sigma-)
from quantum calculations

[27] M. Tacconi, L. Gónzalez-Sánchez, E. Bodo y F. A. Gianturco. Phys. Rev. A, 76 (2007) 032702
Collisions of NH(3Sigma-) with Rb and Cs at ultracold helium: the Li2(A3Sigma+u) and Li+2(X2Sigma+g) targets

[26] S. Gómez-Carrasco, M. L. Hernández y J. M. Alvariño, Chem. Phys. Lett., 435  (2007) 188
Quantum and quasiclassical state-selected O(1D)+HF reactions dynamics and kinetic on a new MRCI ground
singlet potential energy surface

[25] S. Gómez-Carrasco, M. Paniagua, A. Aguado y O. Roncero,  J. Photochem.  Photobiol. A: Chem 190 (2007) 145
Transition state spectroscopy of open shell systems: photodetachment spectra for the adiabatic single states
of OHF

[24] L. González-Sánchez, E. Bodo y F.A. Gianturco, Phys. Rev. A, 73 (2006) 022703
Quantum scattering of OH(2Pi) with He(1s): propensity features in rotational relaxation at ultralow energies

[23] L. González-Sánchez, F. Marinetti, E. Bodo y F. A. Gianturco, J. Phys. B, 39 (2006) S1203
OH-(1Sigma+) collisions with 4He(1s) at vanishing energies. A quantum analysis of rotational quenching
efficiency

[22] S. Gómez-Carrasco, A. Aguado, M. Paniagua y O. Roncero, J. Chem. Phys., 125 (2006) 164321
Coupled diabatic potential energy surfaces for studying the non-adiabatic dynamics at conical intersections in
angular resolved photodetachment simulations of OHF- -> OHF + e-

[21] S. Gómez-Carrasco y O. Roncero, J. Chem. Phys., 125 (2006) 054102
Coordinate transformation method to calculate state-to-state reaction probabilities with wave packet
treatments

[20] F. J. Aoiz, M. P. de Miranda, V. Sáez-Rábanos y J. Aldegunde,
in: Vector correlation and alignment in chemistry (G. G. Balint-Kurti, M. P. de Miranda, Eds.) CCP6, Daresbury
(2006) ISBN: 0-9545289-2-1, pag. 66
Effetc of the reactant’s polarization on the H + D2(v= 0, j= 2) reaction cross section near the threshold

[19] J. Aldegunde, J. M. Alvariño, B. K. Kendrick, V. Sáez-Rábanos, M. P. de Miranda y F. J. Aoiz,
Phys. Chem. Chem. Phys., 8 (2006) 4881
Analysis of the H+D2 reaction mechanism through consideration of the intrisic reactant polarisation

[18] J. Aldegunde, J. M. Alvariño, M. P. de Miranda, V. Saéz-Rábanos y F. J. Aoiz,  J. Chem. Phys., 125 (2006) 133104
Mechanism and control of the F+H2 reaction at low and ultralow collision energies

[17] S. Gómez-Carrasco, O. Roncero, L. Gónzalez-Sánchez, M. L. Hernández, J. M. Alvariño, M. Paniagua y
A. Aguado,  J. Chem. Phys., 123 (2005) 114310
F+OH reactive collisions on new excited 3A” and 3A’ potential-energy surfaces

[16] J. Aldegunde, M. P. de Miranda, J. M. Haigh, B. K. Kendrick, V. Sáez-Rábanos y F. J. Aoiz,
J. Phys. Chem.A, 109 (2005) 6200
How reactants polarization can be used to change and unravel chemical reactivity

[15] F. J. Aoiz, M. P. de Miranda, V. Sáez-Rábanos y J. Aldegunde,
in: Semiclassical and other methods for understanding molecular collisions and chemical reactions (S. Sen, D.
Sokolovski, J.N.L Connor, Eds.) CCP6, Daresbury (2005) ISBN: 0-9545289-3-X, pag. 82
Reactants’ polarization and reactivity in atom-diatom systems

2000 – 2004:

[14] J. Aldegunde, J. M. Alvariño, D. de Fazio, S. Cavalli, G. Grossi y V. Aquilanti,  Chem. Phys., 301  (2004) 251
Quantum stereodynamics of the F + H2 -> HF + H reaction by the stereodirected S-matrix approach

[13] S. Gómez-Carrasco, L. González-Sánchez, A. Aguado, M. Paniagua, O. Roncero, M. L. Hernández y
J. M. Alvariño, Chem. Phys. Lett., 383 (2004) 25
Dynamics and kinetics of the F+OH reaction on the ground triplet potential energy surface

[12] L. Gonzalez-Sanchez, S. Gomez-Carrasco, M. L. Hernandez, J. M. Alvariño, A. Aguado,  M. Paniagua y
O. Roncero, Mol. Phys., 102 (2004) 2381

Quantum stereodynamics of the OH(v,j)+F reactive collision on the 1 3A” state

[11] L. Gónzalez-Sánchez, S. Gómez-Carrasco, A. Aguado, M. Paniagua, M.L. Hernández, J.M. Alvariño y O. Roncero,
J. Chem. Phys., 121 (2004) 309
Photodetachment spectrum of the OHF-: Three-dimensional study of the heavy-light-heavy resonances

[10] S. Gómez-Carrasco, L. González-Sánchez, A. Aguado, O. Roncero, M. L. Hernández, J. M. Alvariño y
M. Paniagua,  J. Chem. Phys., 121 (2004) 4605
Direct versus resonances mediated F+OH collisions on a new 3A” potential energy surface

[9] L. Gónzalez-Sánchez, S. Gómez-Carrasco, A. Aguado, M. Paniagua, M. L. Hernández, J. M. Alvariño y
O. Roncero,  J. Chem. Phys., 121 (2004) 9865
Transition state dynamics of OHF on several electronic states, presenting conical intersections, in the
photodetachment spectrum of OHF-

[8] O. Roncero, S. Gómez-Carrasco, L. Gónzalez-Sánchez, M. Paniagua y A. Aguado,
in: Collaborative Computational Project on Molecular Quantum Dynamics, CCP6, ISBN: 0-9545289-1-3, (2004)
pag. 87
Quantum dynamics at conical intersections

 [7] T. Martínez, M. L. Hernández, J. M. Alvariño, F. J. Aoiz y V. Sáez-Rábanos, J. Chem. Phys., 119 (2003) 7871
A detailed study of the dynamics of the O(1D)+HCl -> OH+Cl, ClO+H reactions

 [6] M. L. Hernández, J. M. Alvariño, A. Laganà, M. Rosi y A. Sgamellotti, Int. J. Quan. Chem., 86 (2002) 79
Ab initio calculation and quasiclassical dynamics study of the two lowest potential energy surfaces of the
O(1D) + HBr system

 [5] A. Rodríguez, E. García,  M. L. Hernández y A. Laganá,   Chem. Phys. Lett., 360 (2002) 304
A LAGROBO strategy to fit potential energy surfaces: the OH+HCl reaction

 [4] A. Rodríguez, E. García,  M. L. Hernández y A. Laganá,   Chem. Phys. Lett., 371 (2002) 223
Isotopic effects in the product vibrational distribution of the OH(1D)+HCl reaction

 [3] V. Piermarini, G. Balint-Kurit, S. K. Gray, G. F. Gogtas, M. L. Hernández y A. Laganá,
J. Phys. Chem. A, 105(2001)5743
Wave Packet calculation of cross sections, product state distributions, and branching ratios for the O(1D9+HCl
reaction


[2] A. Rodríguez, E. García, J. M. Alvariño y A. Laganà, Chem. Phys. Lett., 345 (2001) 219
Progress in validating the potential energy surface of the OH+H2 reaction: product vibrational distributions


 [1] T. Martínez, M. L. Hernández, J. M. Alvariño, A. Laganá, F. J. Aoiz, M. Menendez y J. E. Verdasco,
Phys. Chem. Chem. Phys., 2 (2000) 589
Quasiclassical trajectory simulation of the O(1D) + HCl -> OH+Cl, ClO+H reactions on an improved potential
energy surface