Search Results - "Sáez Rábanos, V."

Competing Dynamical Mechanisms in Inelastic Collisions of H + HF by Jambrina, Pablo G, González-Sánchez, Lola, Aldegunde, Jesús, Sáez-Rábanos, V, Aoiz, F. Javier

“…The dynamics of inelastic collisions between HF and H has been investigated in detail by means of time-independent quantum mechanical calculations on the…”
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Understanding the reaction between muonium atoms and hydrogen molecules: zero point energy, tunnelling, and vibrational adiabaticity by Aldegunde, J., Jambrina, P.G., García, E., Herrero, V.J., Sáez-Rábanos, V., Aoiz, F.J.

“…The advent of very precise measurements of rate coefficients in reactions of muonium (Mu), the lightest hydrogen isotope, with H 2 in its ground and first…”
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How Reactants Polarization Can Be Used to Change and Unravel Chemical Reactivity by Aldegunde, Jesús, de Miranda, Marcelo P, Haigh, James M, Kendrick, Brian K, Sáez-Rábanos, V, Aoiz, F. Javier

“…This article presents theoretical methods for the description of the directional effect of reactant rotation on the reactivity of atom−diatom systems and…”
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Experimental studies and theoretical predictions for the H + D2 → HD + D reaction by SCHNIEDER, L, SEEKAMP-RAHN, K, WYATT, R. E, BORKOWSKI, J, WREDE, E, WELGE, K. H, AOIZ, F. J, BANARES, L, D'MELLO, M. J, HERRERO, V. J, RABANOS, V. S

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The H + D2 → HD + D Reaction. Quasiclassical Trajectory Study of Cross Sections, Rate Constants, and Kinetic Isotope Effect by Aoiz, F. J, Bañares, L, Herrero, V. J, Sáez Rábanos, V, Tanarro, I

“…The quasiclassical trajectory method has been applied to the calculation of cross sections and rate constants for the H + D2 → HD +D reaction on three ab…”
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Experimental and Theoretical Reaction Cross Sections for the H + HCl System by Aoiz, F. J, Bañares, L, Bohm, T, Hanf, A, Herrero, V. J, Jung, K.-H, Läuter, A, Lee, K. W, Menéndez, M, Sáez Rábanos, V, Tanarro, I, Volpp, H.-R, Wolfrum, J

“…The dynamics of the gas-phase reaction of H atoms with HCl has been studied experimentally employing the laser photolysis/vacuum-UV laser-induced fluorescence…”
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Orientation effects in Cl + H2 inelastic collisions: characterization of the mechanisms by Aldegunde, J, Aoiz, F J, González-Sánchez, L, Jambrina, P G, de Miranda, M P, Sáez-Rábanos, V

“…Based on quantum mechanical scattering (QM) calculations, we have analyzed the polarization of the product hydrogen molecule in Cl + H(2) (v = 0, j = 0)…”
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Reaction cross-sections for the H+HCl(DCl) reaction: a quasiclassical trajectory study by Aoiz, F.J, Herrero, V.J, Sáez Rábanos, V, Tanarro, I, Verdasco, E

“…The H+HCl and H+DCl reactions have been investigated with quasiclassical trajectory calculations performed on the ab initio G3 potential energy surface of…”
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Reaction Cross Section and Rate Constant Calculations for the D + H2(v=0,1) → HD + H Reaction on Three ab Initio Potential Energy Surfaces. A Quasiclassical Trajectory Study by Aoiz, F. J, Bañares, L, Díez-Rojo, T, Herrero, V. J, Sáez Rábanos, V

“…Reaction cross sections and rate constants for the D + H2(v = 0−1, j = 0−7) reaction have been obtained by quasi-classical trajectory (QCT) calculations on the…”
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Analysis of the H + D2 reaction mechanism through consideration of the intrinsic reactant polarisation by Aldegunde, J, Alvariño, J M, Kendrick, B K, Sáez Rábanos, V, de Miranda, M P, Aoiz, F J

“…The effect of reactant polarisation on the dynamics of the title reaction at collision energies up to 1.6 eV is analysed in depth. The analysis takes advantage…”
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Experimental Studies and Theoretical Predictions for the H + D 2 → HD + D Reaction by Schnieder, L., Seekamp-Rahn, K., Borkowski, J., Wrede, E., Welge, K. H., Aoiz, F. J., Bañiares, L., D'Mello, M. J., Herrero, V. J., Rábanos, V. Sáez, Wyatt, R. E.

“…The H + H 2 exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D 2 (vibrational quantum…”
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Product rotational polarization. The stereodynamics of the F + H2 reaction by Aoiz, F.J., Brouard, M., Herrero, V.J., Sáez Rábanos, V., Stark, K.

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The H + D 2 → HD + D Reaction. Quasiclassical Trajectory Study of Cross Sections, Rate Constants, and Kinetic Isotope Effect by Aoiz, F. J., Bañares, L., Herrero, V. J., Sáez Rábanos, V., Tanarro, I.

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Product rotational polarization. The stereodynamics of the F + H 2 reaction by Aoiz, F.J., Brouard, M., Herrero, V.J., Sáez Rábanos, V., Stark, K.

“…The angular momentum polarization of the products of the reaction F + H 2 ( ν = 0, j = 0) → HF( ν′) + H is calculated via the QCT methodology at a collision…”
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Quasiclassical trajectory study of the Li+HF( v=0)→LiF+H reaction by Aoiz, F.J., Martı́nez, M.T., Menéndez, M., Sáez Rábanos, V., Verdasco, E.

“…Quasi-classical trajectory (QCT) calculations for the Li+HF( v=0, j )→LiF+H reaction have been performed on a recent ab initio potential energy surface (PES)…”
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Effect of pendular orientation on the reactivity of H + DCl: a quasiclassical trajectory study by Aoiz, F.J., Friedrich, B., Herrero, V.J., Sáez Rábanos, V., Verdasco, J.E.

“…The stereodynamics of the reaction of H + DCl yielding an exchange (D + HCl) and an abstraction (HD + Cl) channel has been investigated by the quasiclassical…”
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The F + HD reaction: cross sections and rate constants on an ab initio potential energy surface by Aoiz, F.J., Bañares, L., Herrero, V.J., Rábanos, V.Sáez, Stark, K., Tanarro, I., Werner, H.-J.

“…Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy…”
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Reaction Cross Section and Rate Constant Calculations for the D + H 2 ( v =0,1) → HD + H Reaction on Three ab Initio Potential Energy Surfaces. A Quasiclassical Trajectory Study by Aoiz, F. J., Bañares, L., Díez-Rojo, T., Herrero, V. J., Sáez Rábanos, V.

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Experimental Studies and Theoretical Predictions for the H + D$_2\rightarrow$ HD + D Reaction by Schneider, L., Seekamp-Rahn, K., Borkowski, J., Wrede, E., Welge, K. H., Aoiz, F. J., Bañares, L., D'Mello, M. J., Herrero, V. J., Rábanos, V. Sáez, Wyatt, R. E.

“…The H + H$_2$ exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D$_2$ (vibrational…”
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Quasi-Classical Trajectory Study of the F + D2 .fwdarw. DF + D Reaction on a New ab Initio Potential Energy Surface. Comparison with Molecular Beam Experimental Results by Aoiz, F. J, Banares, L, Herrero, V. J, Saez Rabanos, V, Stark, K, Werner, H.-J

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