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Results: 1-21 |
Results: 21
A quantum mechanical and quasi-classical trajectory study of the Cl+H-2 reaction and its isotopic variants: Dependence of the integral cross section on the collision energy and reagent rotation
Authors: Aoiz, FJ Banares, L Castillo, JF Menendez, M Skouteris, D Werner, HJ
Citation: Fj. Aoiz et al., A quantum mechanical and quasi-classical trajectory study of the Cl+H-2 reaction and its isotopic variants: Dependence of the integral cross section on the collision energy and reagent rotation, J CHEM PHYS, 115(5), 2001, pp. 2074-2081
Forward scattering in the H+D-2 -> HD+D reaction: Comparison between experiment and theoretical predictions
Authors: Fernandez-Alonso, F Bean, BD Zare, RN Aoiz, FJ Banares, L Castillo, JF
Citation: F. Fernandez-alonso et al., Forward scattering in the H+D-2 -> HD+D reaction: Comparison between experiment and theoretical predictions, J CHEM PHYS, 115(10), 2001, pp. 4534-4545
Experimental and theoretical differential cross sections for the reactionsCl+H-2/D-2
Authors: Skouteris, D Werner, HJ Aoiz, FJ Banares, L Castillo, JF Menendez, M Balucani, N Cartechini, L Casavecchia, P
Citation: D. Skouteris et al., Experimental and theoretical differential cross sections for the reactionsCl+H-2/D-2, J CHEM PHYS, 114(24), 2001, pp. 10662-10672
On the existence of resonances in the H+D-2 -> HD(v '=0,j '=7)+D reaction at collision energies 0.6-1.3 eV
Authors: Aoiz, FJ Banares, L Castillo, JF
Citation: Fj. Aoiz et al., On the existence of resonances in the H+D-2 -> HD(v '=0,j '=7)+D reaction at collision energies 0.6-1.3 eV, J CHEM PHYS, 114(19), 2001, pp. 8237-8239
The stereodynamics of the O(D-1) plus HD reaction on the ground 1 (1)A ' and excited 1 (1)A '' potential energy surfaces
Authors: Aoiz, FJ Banares, L Castillo, JF Martinez-Haya, B de Miranda, MP
Citation: Fj. Aoiz et al., The stereodynamics of the O(D-1) plus HD reaction on the ground 1 (1)A ' and excited 1 (1)A '' potential energy surfaces, J CHEM PHYS, 114(19), 2001, pp. 8328-8338
Differential cross sections and Regge trajectories for the F+H-2 -> HF+H reaction
Authors: Sokolovski, D Castillo, JF
Citation: D. Sokolovski et Jf. Castillo, Differential cross sections and Regge trajectories for the F+H-2 -> HF+H reaction, PCCP PHYS C, 2(4), 2000, pp. 507-512
Quasiclassical trajectory studies of H+H2O and H+D2O reactions on a new abinitio potential energy surface
Authors: Castillo, JF Santamaria, J
Citation: Jf. Castillo et J. Santamaria, Quasiclassical trajectory studies of H+H2O and H+D2O reactions on a new abinitio potential energy surface, J PHYS CH A, 104(45), 2000, pp. 10414-10418
The dynamics of the O(D-1) plus HD reaction: A quasiclassical trajectory multisurface study
Authors: Aoiz, FJ Banares, L Brouard, M Castillo, JF Herrero, VJ
Citation: Fj. Aoiz et al., The dynamics of the O(D-1) plus HD reaction: A quasiclassical trajectory multisurface study, J CHEM PHYS, 113(13), 2000, pp. 5339-5353
Cl + HD (v=1; J=1,2) reaction dynamics: Comparison between theory and experiment
Authors: Kandel, SA Alexander, AJ Kim, ZH Zare, RN Aoiz, FJ Banares, L Castillo, JF Rabanos, VS
Citation: Sa. Kandel et al., Cl + HD (v=1; J=1,2) reaction dynamics: Comparison between theory and experiment, J CHEM PHYS, 112(2), 2000, pp. 670-685
ABC: a quantum reactive scattering program
Authors: Skouteris, D Castillo, JF Manolopoulos, DE
Citation: D. Skouteris et al., ABC: a quantum reactive scattering program, COMP PHYS C, 133(1), 2000, pp. 128-135
Quasi-classical trajectory study of the dynamics of the H+H(2)Oreaction: differential cross-sections and product rotational polarization
Authors: Castillo, JF Aoiz, FJ Banares, L Santamaria, J
Citation: Jf. Castillo et al., Quasi-classical trajectory study of the dynamics of the H+H(2)Oreaction: differential cross-sections and product rotational polarization, CHEM P LETT, 329(5-6), 2000, pp. 517-525
Nearside-farside analysis of state-selected differential cross sections for reactive molecular collisions
Authors: Dobbyn, AJ McCabe, P Connor, JNL Castillo, JF
Citation: Aj. Dobbyn et al., Nearside-farside analysis of state-selected differential cross sections for reactive molecular collisions, PCCP PHYS C, 1(6), 1999, pp. 1115-1124
Quantum mechanical and quasi-classical rate constant calculations for the O(P-3)+HCl -> OH+Cl reaction
Authors: Aoiz, FJ Banares, L Castillo, JF Menendez, M Verdasco, JE
Citation: Fj. Aoiz et al., Quantum mechanical and quasi-classical rate constant calculations for the O(P-3)+HCl -> OH+Cl reaction, PCCP PHYS C, 1(6), 1999, pp. 1149-1158
State-to-state three-atom reactive scattering using adiabatic rotation approximations
Authors: De Fazio, D Castillo, JF
Citation: D. De Fazio et Jf. Castillo, State-to-state three-atom reactive scattering using adiabatic rotation approximations, PCCP PHYS C, 1(6), 1999, pp. 1165-1172
A theoretical study of the dynamics of vibrational wave packets in the 1(g) state of Xe-2
Authors: Castillo, JF Reid, KL
Citation: Jf. Castillo et Kl. Reid, A theoretical study of the dynamics of vibrational wave packets in the 1(g) state of Xe-2, LASER CHEM, 19(1-4), 1999, pp. 57-63
Spin-orbit effects in quantum mechanical rate constant calculations for the F+H-2 -> HF+H reaction
Authors: Aoiz, FJ Banares, L Castillo, JF
Citation: Fj. Aoiz et al., Spin-orbit effects in quantum mechanical rate constant calculations for the F+H-2 -> HF+H reaction, J CHEM PHYS, 111(9), 1999, pp. 4013-4024
Comment on "Reaction cross sections for the H+D-2 (v=0,1) system for collision energies up to 2.5 eV: A multiconfiguration time-dependent Hartree wave-packet propagation study" [J. Chem. Phys. 110, 241 (1999)]
Authors: Aoiz, FJ Banares, L Castillo, JF Herrero, VJ
Citation: Fj. Aoiz et al., Comment on "Reaction cross sections for the H+D-2 (v=0,1) system for collision energies up to 2.5 eV: A multiconfiguration time-dependent Hartree wave-packet propagation study" [J. Chem. Phys. 110, 241 (1999)], J CHEM PHYS, 111(21), 1999, pp. 9891-9891
The dynamics of the hydrogen exchange reaction at 2.20 eV collision energy: Comparison of experimental and theoretical differential cross sections
Authors: Wrede, E Schnieder, L Welge, KH Aoiz, FJ Banares, L Castillo, JF Martinez-Haya, B Herrero, VJ
Citation: E. Wrede et al., The dynamics of the hydrogen exchange reaction at 2.20 eV collision energy: Comparison of experimental and theoretical differential cross sections, J CHEM PHYS, 110(20), 1999, pp. 9971-9981
Semiclassical angular scattering in the F+H-2 -> HF+Hreaction: Regge pole analysis using the Pade approximation
Authors: Sokolovski, D Castillo, JF Tully, C
Citation: D. Sokolovski et al., Semiclassical angular scattering in the F+H-2 -> HF+Hreaction: Regge pole analysis using the Pade approximation, CHEM P LETT, 313(1-2), 1999, pp. 225-234
Quantum mechanical angular distributions for the F+HD reaction
Authors: Castillo, JF Manolopoulos, DE
Citation: Jf. Castillo et De. Manolopoulos, Quantum mechanical angular distributions for the F+HD reaction, FARADAY DIS, (110), 1998, pp. 119-138
General discussion
Authors: Davidson, ER Morokuma, K Nguyen, MT Allen, WD Clary, DC Handy, NC Schatz, GC Light, JC Bowman, JM Zhang, JZH Manthe, U Connor, JNL Jakubetz, W Manolopoulos, DE Kuppermann, A Taylor, PR Anderson, JB Aoiz, FJ Castillo, JF Lagana, A de Aspuru, O Tully, JC Lemoine, D Dobbyn, A Mahapatra, S Miller, WH Poirier, B Stoecklin, T Hutson, J Truhlar, DG Nyman, GBL Huarte-Larranaga, F Gimenez, X Althorpe, SC Balint-Kurti, GG Kouri, DJ Kroes, GJ Riganelli, A Goldfield, E Knowles, PJ Trindle, C Schaefer, HF
Citation: Er. Davidson et al., General discussion, FARADAY DIS, (110), 1998, pp. 207-252
Risultati: 1-21 |