REACTION DYNAMICS Network
Experimental and Theoretical Studies on the
Dynamics of Reactions of
Atoms and Radicals of Fundamental and
Practical Importance
JOINT
PUBLICATIONS
1.
F. J. Aoiz,
L. Bañares, M. Brouard, J.
F. Castillo and V. J. Herrero, The dynamics of the O(1D)+HD
reaction: a quasiclassical trajectory multisurface
study, J. Chem. Phys. 113, 5339-5353 (2000).
Teams involved:
2.
P. Quintana, R. F. Delmdahl, D. H. Parker, B. Martínez-Haya,
F. J. Aoiz, L. Bañares and
E. Verdasco, Velocity
map imaging and REMPI study of the photodissociation
of CH3SCH3 from the first absorption band, Chem. Phys. Lett.,
325, 146-152 (2000).
Teams involved:
3. M. H. Alexander, D. E. Manolopoulos,
and H. -J. Werner
An investigation of the F+H2 reaction
based on a full ab initio description of the open-shell character of the F(2P)
atom, J. Chem. Phys. 113, 11084-11100 (2000).
Teams
involved:
4. N. Balucani, L. Cartechini, P.
Casavecchia, G. G. Volpi, F. J. Aoiz, L. Bañares, M. Menéndez, W. Bian and H.-J. Werner, Dynamics
of the Cl+D2 reaction: a comparison of crossed molecular beam
experiments with quasi-classical trajectory calculations on a new ab initio
potential energy surface, Chem. Phys.
Lett. 328, 500-508 (2000).
Teams involved:
5. F. J. Aoiz,
L. Bañares, J. F. Castillo, M. Brouard,
W. Denzer, C. Vallance, P.
Honvault, J.-M. Launay, A. J. Dobbyn and P. J.
Knowles, Insertion and Abstraction
Pathways in the Reaction O(1D)+H2®OH+H, Phys.
Rev. Lett., 86, 1729-1732 (2001).
Teams
involved:
6. D. Skouteris,
H.-J. Werner, F. J. Aoiz, L. Bañares,
J. F. Castillo, M. Menéndez, N. Balucani, L.
Cartechini, P. Casavecchia, G. G. Volpi, Experimental
and theoretical differential cross sections for the reactions Cl+H2/D2,
J. Chem. Phys. 114, 10662-10672 (2001).
Teams
involved:
7. F. J. Aoiz,
L. Bañares, J. F. Castillo, M. Menéndez,
D. Skouteris, H.-J. Werner,
A quantum mechanical and quasi-classical trajectory
study of the Cl+H2 reaction and its isotopic variants. Dependence
of the integral cross section on the colliison energy
and reagent rotation, J. Chem. Phys. 115, 2074-2081 (2001).
Teams
involved:
8. E.J. Rackham,
F. Huarte-Larranaga,
D.E. Manolopoulos
Coupled-channel
statistical theory of the N(2D)+H2
and O(1D)+H2 insertion reactions
Chem.
Phys. Lett. 343, 356 (2001).
Teams
involved:
9. N.
Balucani, L. Cartechini, G. Capozza, E. Segoloni, P.
Casavecchia, G. G. Volpi, F. J. Aoiz, L. Banares, P. Honvault, J.-M. Launay, Quantum effects in the differential cross sections for the insertion
reaction N(2D)+H2, Phys. Rev. Letters 89, 013201-1 (2002).
Teams involved:
10. M. Brouard,
Teams involved:
11. M. Brouard, I. Burak,
D. Minayev, P. O'Keeffe, C. Vallance,
F.J. Aoiz, L. Banares, J.F. Castillo, D.H. Zhang and M.A. Collins, The
dynamics of the H + D2O ® OD + HD
at 2.5eV reaction: Experiment
and theory. J. Chem.
Phys. 118,
1162-1174 (2003).
Teams involved:
12. M.J.
Bass, M. Brouard, A.P. Clark, B. Martinez-Haya, C. Vallance, Angular momentum alignment of Cl(2P3/2) in the 308nm photolysis of
Cl2 determined using Fourier moment velocity-map imaging, Phys. Chem. Chem. Phys. 5, 856 (2003).
Teams involved:
13. N. Balucani, D. Skouteris, G. Capozza,
E. Segoloni, P. Casavecchia, M. H. Alexander, G. Capecchi, H.-J. Werner, Differential
cross sections from quantum calculations on coupled ab initio potential energy
surfaces and scattering experiments for Cl(2P) + H2 reactions,
Phys. Rev. Letters 91, 013201-1 (2003)
Teams involved:
14. A.
Paladini, A. Russo,
P. Sharkey, R. Cireasa, G. Capozza, G. Restani, M. Paolantoni, P. Foggi, and P. Casavecchia, Characterization of Continuous Supersonic Beams of OH Radicals by
Laser Induced Fluorescence, Proc. XX
International Symposium on Molecular Beams, Lisbon (Portugal), 8-13 June
2003, pp. 207-209.
Teams involved:
15. D.
Skouteris, A. Lagana', G. Capecchi, H.-J. Werner, Wavepacket calculations for the Cl
+ H2 reaction,
Int. J. Quantum Chem. 96, 562-567 (2004).
Teams
involved:
16. B. Martinez-Haya,
M.J. Bass, M. Brouard, C. Vallance,
I. Torres, and J. Barr, Photodissociation and
multiphoton dissociative-ionization processes in CH3S2CH3
at 193nm studied using velocity-map imaging, J. Chem. Phys. 120, 11402
(2004).
Teams involved:
17. O. Höbel, R. Bobbenkamp,
A. Paladini,
A. Russo, H. J. Loesch,
Effect of translational energy on the
reaction Li + HF(v=0) ® LiF + H, Phys. Chem. Chem. Phys. 6, 2198-2204 (2004).
Teams involved:
18. D.
Skouteris, A. Lagana', G. Capecchi, H.-J. Werner,
Rotational and alignment effects in a wavepacket
calculation for the Cl + H2 reaction, Int. J. Quantum Chem., in press (2004).
Teams involved:
19. N. Balucani, G. Capozza, R. Bobbenkamp,
L. Cartechini, A. Bergeat, P. Casavecchia, F. J. Aoiz, L. Banares, P.
Honvault, B. Bussery-Honvault, and J. M. Launay, Dynamics of the insertion reaction C(1D)+H2:
A comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum
mechanical scattering calculations, Phys.
Chem. Chem. Phys. 2004
(in press).
Teams involved:
20. N. Balucani, D. Skouteris,
G. Capozza, E. Segoloni, P. Casavecchia, M. H. Alexander, G.
Capecchi, and H.-J. Werner, The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2)
+ H2: A comparison of crossed molecular beam experiments with exact
quantum scattering calculations on coupled ab initio potential energy surfaces
for the reaction, Phys.
Chem. Chem. Phys. 2004 (submitted)
Teams involved:
21. D.
Skouteris, A. Lagana', G. Capecchi, H.-J. Werner,
A time dependent wavepacket
multisurface
treatment of the Cl + H2 reaction, Phys. Chem. Chem.
Phys. 2004 (submitted)
Teams
involved:
22. M. Brouard, S. Marinakis, L. Rubio Lago, F.
Quadrini, D. Solaiman, C. Vallance, F.J. Aoiz, L. Banares, J.F. Castillo, Cross-sections
for the H + H2O and H + D2O abstraction reactions.
Phys. Chem. Chem. Phys. (submitted).
Teams involved:
23. M. P. Miranda, F. J. Aoiz,
V. Sáez Rábanos, M. Brouard, Spatial
distributions of angular momenta in quantum and quasiclassical stereodynamics,
J.
Chem. Phys. (Submitted)
Teams involved:
24.
J.
Klos, D.R.
Cireasa, J.J. ter Meulen, A. van der Avoird, and F. J. Aoiz, Rotational excitation of OH(2P3/2,
J=3/2, f ) by HCl: comparison of theory and
experiment, Phys. Chem. Chem. Phys. 2004 (submitted).
Teams involved:
25. U. Manthe, G. Capecchi, and H.-J. Werner, The effect of
spin-orbit coupling on the thermal rate constant of the H2+Cl ®
H+HCl reaction, Phys. Chem. Chem.
Phys.
2004 (submitted)
Teams involved: MUENCHEN -
26. N.
Balucani, D. Skouteris,
P. Casavecchia, G. Capecchi, H.-J. Werner, The dynamics of the Cl+D2
reaction: Comparison between experimental differential cross sections and
quantum scattering calculations on a new ground-state ab initio potential
energy surface, (in preparation)
Teams involved:
27. N. Balucani, L. Cartechini, G. Capozza, E. Segoloni, P. Casavecchia, G. G. Volpi, F. J. Aoiz, L. Banares, P. Honvault,
J.-M. Launay, The dynamics of the
insertion reaction N(2D)+H2 from crossed beam experiments and quantum
and quasiclassical trajectory calculations on an ab initio potential energy
surface, J. Chem. Phys. (in
preparation).
Teams
involved:
28.
N. Balucani, G. Capozza,
E. Segoloni, R. Bobbenkamp,
A. Russo, P. Casavecchia, F. J. Aoiz, L. Banares, Crossed Beam Experiments versus
Quasiclassical Trajectory Scattering Calculations on an Ab Initio Potential
Energy Surface for the C(1D) + D2 reaction, Chem. Phys. Lett.
(in preparation).
Teams involved:
29. A. Paladini,
A. Russo, R. Bobbenkamp, H. J. Loesch, M.Menendez, E. Verdasco, F. J. Aoiz, H. J.
Werner, Effect of rotational energy on the reaction Li + HF(v=0) ® LiF + H: an experimental
and computational study, Phys. Chem. Chem. Phys. 2004 (in preparation)
Teams involved:
30. A. Paladini, A.
Russo, P. Sharkey, R. Cireasa, G. Capozza, G. Restani, P. Foggi,
and P. Casavecchia, Characterization of Continuous Supersonic Beams
of OH Radicals
by Laser Induced Fluorescence, Chem. Phys. Lett. (in preparation).
Teams involved:
31. M. Brouard, S. Marinakis,
L. Rubio Lago,
P. Tampkins, C. Vallance,
F.J. Aoiz, L. Banares, J.F.
Castillo, Spin-orbit effects in the H + H2O and H + D2O
abstraction reactions (in preparation).
Teams involved:
32. J. Klos, F. J. Aoiz, J. E. Verdasco,
S. Marinakis,
M. Brouard, A combinedquasi-classical and quantum scattering calculations of
inelastic collisions between He atoms and NO(X2P) molecules at collision energies of 63 and 147meV. (in preparation).
Teams involved: