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- A qct study of the role of the symmetric and antisymmetric stretch mode excitations of methane in the o(3p) + ch4 (vi = 0, 1; i = 1, 3) reaction
- A quasi-classical trajectory study of the product energy partition and rovibrational distribution for the H + CD4 reaction
- Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction
- Analytical potential energy surface and dynamics for the OH + CH3OH reaction
- Analytical potential energy surface for the reaction with intermediate complexes NH 3 + Cl → NH 2 + HCl: Application to the kinetics study
- Analytical potential energy surface describing abstraction reactions in asymmetrically substituted polyatomic systems of type CX3y + A→ products
- Current Status of the X + C2H6 [X ≡ H, F(2P), Cl(2P), O(3P), OH] Hydrogen Abstraction Reactions: A Theoretical Review
- Dynamics of the O(3P) + CH4 hydrogen abstraction reaction at hyperthermal collision energies
- F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface
- FULL-DIMENSIONAL POTENTIAL ENERGY SURFACE AND DYNAMICS OF THE OH + CH3SH GAS-PHASE REACTION
- Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects
- Full-dimensional potential energy surface for the H + CH3OH reaction. Theoretical kinetics and dynamics study
- Global potential energy surface and dynamics for the OH + CH3OH reaction
- II Jornadas Universitarias de Igualdad
- Isotope effects on the dynamics properties and reaction mechanism in the CL(2P) + NH3 reaction: A QCT and QM study
- Kinetics and dynamics study of the Cl(2P) + CH3OH reaction based on an analytical potential energy surface
- Kinetics and dynamics study of the OH + C2H6→ H2O + C2H5reaction based on an analytical global potential energy surface
- Kinetics and dynamics study of the H + CCl4 → HCl(v′, j′) + CCl3 reaction
- Kinetics study of the CN + CH4 hydrogen abstraction reaction based on a new: Ab initio analytical full-dimensional potential energy surface
- Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory
- New analytical potential energy surface for the F(2P) + CH 4 hydrogen abstraction reaction: Kinetics and dynamics
- New hybrid method for reactive systems from integrating molecular orbital or molecular mechanics methods with analytical potential energy surfaces
- On the accuracy of an analytical potential energy surface for the CH 4 + Cl reaction and the quasi-classical trajectory calculations for thermal rate constants
- Potential energy surface for asymmetrically substituted reactions of type CWXYZ + A. kinetics study
- Potential energy surface, kinetics, and dynamics study of the Cl+C H 4 →hCl+C H3 reaction
- Potential energy surface for the CCl 4+H→ CCl 3+ClH reaction: Kinetics and dynamics study
- Potential energy surface for the F(2P3/2, 2P1/2) + CH4 hydrogen abstraction reaction. kinetics and dynamics study
- Potential energy surfaces: Δ-machine learning from analytical functional forms
- Potential energy surfaces: Δ-machine learning from analytical functional forms
- Product angular distribution for the H + CD4 → HD + CD 3 reaction
- Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment
- Quasi-classical trajectory study of the CN + NH3 reaction based on a global potential energy surface
- Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type a + CX3Y → products: The H + CH3Cl hydrogen abstraction reaction channel
- Quasi-classical trajectory calculations analyzing the reactivity and dynamics of asymmetric stretch mode excitations of methane in the H + CH 4 reaction
- Quasi-classical trajectory calculations analyzing the role of bending mode excitations of methane in the Cl + CH4 reaction
- Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl+CH4 reaction
- Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an: Ab initio based full-dimensional potential energy surface
- Role of the Vibrational and Translational Energies in the CN(v)+C2H6(ν1, ν2, ν5 and ν9) Reactions. A Theoretical QCT Study
- State-to-state dynamics of the Cl(2P) + C2H6(ν 5, ν 1 = 0, 1) → HCl(v′, j′) + C2H5 hydrogen abstraction reactions
- The CN + C2H6 reaction. Dynamics study based on an analytical full-dimensional potential energy surface.
- The CN(X2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface
- The OH + CH3SH process: Potential energy surface and theoretical dynamics study
- Theoretical Kinetics Study of the OH + CH3SH Reaction Based on an Analytical Full‐Dimensional Potential Energy Surface
- Theoretical kinetics study of the OH + CH3SH reaction based on an analytical full-dimensional potential energy surface
- Theoretical study of the antioxidant activity of vitamin E: Reactions of α-tocopherol with the hydroperoxy radical
- Theoretical study of the O(3P) + SiH4 reaction: global potential energy surface, kinetics and dynamics study
- Theoretical study of the O(3P) + C2H6reaction based on a new: Ab initio -based global potential energy surface
- Thermochemistry data from kinetics results: A test of quality of the potential energy surface
- Trapping of the OH radical by α-tocopherol: A theoretical study
- Vibrational, rotational and translational effects on the OH(v, j) + CH4(v 1, v 2, v 3, v 4) dynamics reaction: a quasi-classical trajectory study
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