Ramón Sayós - Dissemin

Papers authored by Ramón Sayós

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2006 Pablo Gamallo

, R. Sayós

, Miguel González, Carlo Petrongolo, Paolo Defazio

Quantum real wave-packet dynamics of the N(S4)+NO(X̃Π2)→N2(X̃Σg+1)+O(P3) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections, and product distributions

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2005 C. Arasa, P. Gamallo

, R. Sayós

Adsorption of Atomic Oxygen and Nitrogen at β-Cristobalite (100): A Density Functional Theory Study

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2003 Irene Miquel, Jordi Hernando, R. Sayós

, Miguel González

Influence of collision energy on the N(2D)+O2→O(3P)+NO reaction dynamics: A quasiclassical trajectory study involving four potential energy surfaces

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Jordi Hernando, Judith Millán, R. Sayós

, Miguel González

Ab initio study of the O(1D)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″) reaction: Ground and excited potential energy surfaces

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Pablo Gamallo

, Miguel González, R. Sayós

, Carlo Petrongolo

Quantum wave packet dynamics of the 1 3A″ N(4S)+NO(X̃ 2Π)→N2(X̃ 1Σg+)+O(3P) reaction

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Jordi Hernando, R. Sayós

, Miguel González

A QCT study of the microscopic mechanisms proceeding via the ground PES of the O(1D) + H2 (Xg+) → OH(X )+H(2S) reaction

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P. Gamallo

, Miguel González, R. Sayós

Ab initio derived analytical fits of the two lowest triplet potential energy surfaces and theoretical rate constants for the N(4S)+NO(X 2Π) system

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P. Gamallo

, Miguel González, R. Sayós

Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S)+NO (X 2Π) reaction

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Irene Miquel, Miguel González, R. Sayós

, Gabriel G. Balint-Kurti, Stephen K. Gray, Evelyn M. Goldfield

Quantum reactive scattering calculations of cross sections and rate constants for the N(2D)+O2(X 3Σg−)→O(3P)+NO(X 2Π) reaction

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2002 Paolo Defazio, Carlo Petrongolo, Carolina Oliva, Miguel González, Ramón Sayós

Quantum dynamics of the N(4S)+O2 reaction on the X 2A′ and a 4A′ surfaces: Reaction probabilities, cross sections, rate constants, and product distributions

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R. Sayós

, Carolina Oliva, Miguel González

New analytical (2A′,4A′) surfaces and theoretical rate constants for the N(4S)+O2 reaction

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Miguel González, Carolina Oliva, R. Sayós

The lowest doublet and quartet potential energy surfaces involved in the N(4S)+O2 reaction. II. Ab initio study of the C2V-symmetry insertion mechanism

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Miguel González, Irene Miquel, R. Sayós

Ab initio, VTST and QCT study of the 3 potential energy surface implied in the ()+(Σ)→()+(Π) reaction

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Miguel González, R. Sayós

, Rosendo Valero

Ab initio and kinetics study of the ground ″ potential energy surface of the ()+→2, +(Δ) reactions

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R. Sayós

, Jordi Hernando, María P. Puyuelo, Pedro A. Enríquez, Miguel González

Influence of collision energy on the dynamics of the reaction O(1D) + CH4(X1A1) → OH(X 2Π) + CH3(X 2A2″)

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2001 Miguel González, Irene Miquel, R. Sayós

Ab initio, VTST, and QCT study of the 1 2A″ potential energy surface of the N(2D)+O2(X 3Σg−)→O(3P)+NO(X 2Π) reaction

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R. Sayós

, Carolina Oliva, Miguel González

Ab initio CASPT2//CASSCF study of the O(1D)+H2O(X 1A1) reaction

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Miguel González, Rosendo Valero, Josep Maria Anglada, R. Sayós

Ab initio A′1 ground potential energy surface and transition state theory kinetics study of the O(1D)+N2O→2NO, N2+O2(a 1Δg) reactions

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Miguel González, María P. Puyuelo, Jordi Hernando, R. Sayós

, Pedro A. Enríquez, Javier Guallar

Influence of Collision Energy on the Nascent OH(X²Π, v‘ ‘ = 0−4) Product Energetics for the Reaction of O(¹D) with Ethane. A Laser-Induced Fluorescence and Quasiclassical Trajectory Study

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Miguel González, Marı́a P. Puyuelo, Jordi Hernando, Rodrigo Martı́nez, R. Sayós

, Pedro A. Enrı́quez

Nascent OH(Π) product state distributions from the reaction of O(1D) with ethylene.

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Papers authored by Ramón Sayós