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Global potential energy surfaces for the H3+ system. Analytical representation of
the adiabatic ground-state 1 1A' potential
A. Aguado, O. Roncero, C. Tablero, C. Sanz-Sanz and M. Paniagua,
J. Chem. Phys., 112, 1240 (2000),
DOI:10.1063/1.480539 .
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The lowest triplet state 3A' of H3+: Global potential energy surface and
vibrational calculations
C. Sanz-Sanz, O. Roncero, C. Tablero, A. Aguado and M. Paniagua,
J. Chem. Phys., 114, 2182 (2001),
DOI: 10.1063/1.1336566.
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Transition state spectroscopy of the excited electronic states of Li-HF
C. Sanz-Sanz, O. Roncero, M. Paniagua and A. Aguado,
Chem. Phys. Lett., 351, 295 (2002),
DOI: 10.1016/S0009-2614(01)01387-2.
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D3+ rovibrational levels and spectra for the adiabatic
1 1A' and 1 3A' electronic states
E. Cuervo-Reyes, J. Rubayo-Soneira, A. Aguado, M. Paniagua,
C. Tablero, C. Sanz-Sanz and O. Roncero,
Phys. Chem. Chem. Phys., 4, 6012 (2002),
DOI: 10.1039/B206379B .
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Transition state spectroscopy of the excited electronic states of Li-HF
A. Aguado, M. Paniagua, C. Sanz-Sanz and O. Roncero,
J. Chem. Phys., 119, 10088 (2003),
DOI: 10.1063/1.1618223 .
To the article
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Energetics and structure of the bound states in a lithium,
complex: The (LiH2+) electronic ground state
C. Sanz-Sanz, E. Bodo and F. A. Gianturco,
Chem. Phys., 314, 135 (2005),
DOI: 10.1016/j.chemphys.2005.02.006 .
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Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl + H
G. C. Verbockhaven, C. Sanz-Sanz, G. C. Groenenboom, O. Roncero and A. vander Avoird,
J. Chem. Phys., 122, 204307 (2005),
DOI: 10.1063/1.1899154.
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Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca-HCl
C. Sanz-Sanz, A. Van der Avoird and O. Roncero,
J. Chem. Phys., 123, 064301 (2005),
DOI: 10.1063/1.1995700.
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Understanding chemical reactions involving non-adiabatic
transitions: predissociation of the electronically excited Li-HF complex
A. Aguado, M. Paniagua, C. Sanz-Sanz and O. Roncero,
Recent advances in the Theory of Chemical and Physical
Systems,
Progress in Theoretical Chemistry and Physics serie,
Vol. 15, 385-405, (2006),
DOI: 10.1007/1-4020-4528-X.
Edited by J.-P. Julien, J. Maruani, D. Mayou, S. Wilson and G. Delgado-Barrio.
To the book
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Transition state spectroscopy of the photoinduced Ca +
CH3 reaction II. Ab-initio and experimental studies of the free
Ca...FCH3 complex
J.-M. Mestdagh, F. Spiegelman, E. Gloaguen, M. Collier, F. Lepetit,
M.-A. Gaveau, C. Sanz-Sanz and B. Soep,
J. Phys. Chem. A, 110, 7355 (2006),
DOI: 10.1021/jp057483j.
To the article
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Transition-state spectroscopy of the photoinduced Ca + CH3F Reaction. III. Reaction Following the
local excitation to Ca(4s3d 1D)
E. Gloaguen, C. Sanz-Sanz, M. Collier, M.-A. Gaveau, B. Soep, O. Roncero and J.-M. Mestdagh,
J. Phys. Chem. A, 112, 1408 (2008),
DOI: 10.1021/jp077664g .
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Coherent control of molecular alingment of homonuclear
diatomic molecules by analytically designed laser pulses,
S. Zou, C. Sanz-Sanz and G. G. Balint-Kurti,
J. Chem. Phys., 129, 124307 (2008),
DOI: 10.1063/1.2976154 .
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Differential cross sections and product rotational polarization
in A + BC reactions using wave packet methods: H+ +
D2 and Li + HF examples
A. Zanchet, O. Roncero, T. Gonzalez-Lezana, A. Rodriguez-Lopez,
A. Aguado, C. Sanz-Sanz and S. Gomez-Carrasco
and K. C. Janda,
J. Phys. Chem. A, 113, 14488 (2009),
DOI: 10.1021/jp9038946 .
To the article
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A model study on the electronic predissociation of the
NeBr2 van der Waals complex
C. Sanz-Sanz, O. Roncero, R. Hernandez-Lamoneda, J. M. Pio, M. A. Taylor
and K. C. Janda,
J. Chem. Phys., 132, 221103 (2010),
DOI: 10.1063/1.3429940 .
To the article
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Excited state dynamics of a model asymmetric molecular rotor: a five-dimensional study on 2-cyclopentylidene-tetrahydrofuran
M. Assman, C. Sanz-Sanz, G. Perez-Hernandez, G. A. Worth and L. Gonzalez,
Chem. Phys., 377, 86 (2010),
DOI: 10.1016/j.chemphys.2010.08.019.
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Guiding the time-evolution of a molecule:optimal control by computer
G. A. Worth and C. Sanz-Sanz
Phys. Chem. Chem. Phys., 12, 15570 (2010),
DOI:10.1039/C0CP01740J.
To the article
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Quantum stereodynamics of Li+HF reactive collisions: the role of reactants polarization on the differential cros section
L. Gonzalez-Sanchez, O. Vasyutinskii, A. Zanchet, C. Sanz-Sanz, and O. Roncero
Phys. Chem. Chem. Phys. , 13, 13656 (2011),
DOI:10.1039/C0CP02452J.
To the article
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A full-dimensional coupled-surface study of the photodissociation
dynamics of ammonia using the multiconfiguration time-dependent Hartree method
K. Giri, E. Chapman, C. Sanz-Sanz, and G. A. Worth
J. Chem. Phys. , 135, 044311 (2011),
DOI:10.1063/1.3614038.
To the article
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Dynamic Stark Control: Model studies based on the photodissociation of IBr
C. Sanz-Sanz, Gareth W. Richings, and G. A. Worth
Faraday Discuss., 153, 275 (2011),
DOI:10.1039/C1FD00039J.
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Infrared spectrum of H5+ and D5+: The
simplest shared-proton model
C. Sanz-Sanz, O. Roncero, A. Valdes, R. Prosmiti, G. Delgado-Barrio, P. villarreal, P. Barragan and A. Aguado
Phys. Rev. A., 84, 060502 (2011),
DOI:10.1103/PhysRevA.84.060502.
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Quantum Zeno effect: Quantum shuffling and Markovianity
A.S. Sanz, C. Sanz-Sanz, T. Gonzalez-Lezana, O. Roncero and S. Miret-Artes
Ann. of Phys. , 327, 1277 (2012),
DOI: 10.1016/j.aop.2011.12.012.
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Quantum Zeno-based control mechanism for molecular fragmentation
C. Sanz-Sanz, A. S. Sanz, T. Gonzalez-Lezana, O. Roncero, and S. Miret-Artes
J. Chem. Phys. , 136, 121101 (2012),
DOI:10.1063/1.3698278.
To the article
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Simulation of the infrared predissociation spectra of H5+
A. Aguado, C. Sanz-Sanz, P. Villarreal, and O. Roncero
Phys. Rev. A , 85, 032514 (2012)
DOI:10.1103/PhysRevA.85.032514.
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A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule
R. Hernandez-Lamoneda, C. Sanz-Sanz, O. Roncero, J. M. Pio, M. A. Taylor and K.C. Janda
Chem. Phys. 399, 86 (2012),
DOI:10.1016/j.chemphys.2011.09.015.
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Theoretical simulations of the vibrational predissociation spectra of
H5+ and D5+ clusters
A. Valdes, P. Barragan, C. Sanz-Sanz, R. Prosmiti, P. Villareal and G. Delgado-Barrio
Theor. Chem. Acc., 131, 1210 (2012)
DOI:10.1007/S00214-012-1210-2.
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Revisiting the Zeno paradox: Flying arrows for atom-diatom reactions
C. Sanz-Sanz, A. S. Sanz, T. Gonzalez-Lezana, O. Roncero and S. Miret-Artes
Phys. Rev. Lett. , submitted.
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