List of works - Cipriano Rangel

A QCT study of the role of the symmetric and antisymmetric stretch mode excitations of methane in the O(3P) + CH4 (νi = 0, 1; i = 1, 3) reaction

scientific article published on 01 February 2015

Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction

scientific article published in February 2013

Analytical Potential Energy Surface Describing Abstraction Reactions in Asymmetrically substituted Polyatomic Systems of Type CX3Y + A→ Products†

scientific article published on 01 January 2006

Analytical potential energy surface for the reaction with intermediate complexes NH3 + Cl → NH2 + HCl: Application to the kinetics study

scientific article published on 20 June 2011

Dynamics of the O(3P) + CH4 hydrogen abstraction reaction at hyperthermal collision energies.

scientific article published in May 2014

F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface

scientific article published in 2018

Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects

scientific article published on 19 January 2018

Kinetics and dynamics study of the H + CCl4 → HCl(v′, j′) + CCl3 reaction

scientific article published on 22 June 2010

Kinetics and dynamics study of the OH + C2H6 → H2O + C2H5 reaction based on an analytical global potential energy surface

scientific article published on 24 June 2020

Kinetics study of the CN + CH4 hydrogen abstraction reaction based on a new ab initio analytical full-dimensional potential energy surface.

scientific article published on 13 July 2017

Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory

scientific article published in June 2004

New Analytical Potential Energy Surface for the F(2P) + CH4Hydrogen Abstraction Reaction: Kinetics and Dynamics

scientific article published on 09 March 2007

New hybrid method for reactive systems from integrating molecular orbital or molecular mechanics methods with analytical potential energy surfaces

scientific article published on 15 September 2004

On the Accuracy of an Analytical Potential Energy Surface for the CH4+ Cl Reaction and the Quasi-Classical Trajectory Calculations for Thermal Rate Constants

scientific article published in September 2005

Potential Energy Surface for Asymmetrically Substituted Reactions of Type CWXYZ + A. Kinetics Study

scientific article published on 19 May 2007

Potential Energy Surface for the F(2P3/2,2P1/2) + CH4Hydrogen Abstraction Reaction. Kinetics and Dynamics Study

scientific article published on 01 February 2005

Potential energy surface for the CCl4+H→CCl3+ClH reaction: Kinetics and dynamics study

article

Potential energy surface, kinetics, and dynamics study of the Cl+CH4→HCl+CH3 reaction

scientific article published on 28 March 2006

Product Angular Distribution for the H + CD4→ HD + CD3Reaction

scientific article published in September 2006

Quasi-Classical Trajectory Calculations Analyzing the Reactivity and Dynamics of Asymmetric Stretch Mode Excitations of Methane in the H + CH4Reaction

scientific article published in September 2006

Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment.

scientific article published on 28 February 2018

Quasi-classical Trajectory Calculations Analyzing the Role of Bending Mode Excitations of Methane in the Cl + CH4Reaction

scientific article published in August 2006

Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y → products: the H + CH3Cl hydrogen abstraction reaction channel

scientific article published in 2008

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

scientific article published on 21 February 2006

Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface

scientific article published on 13 June 2016

Theoretical Study of the Antioxidant Activity of Vitamin E: Reactions of α-Tocopherol with the Hydroperoxy Radical

scientific article published in March 2005

Theoretical study of the O(3P) + C2H6 reaction based on a new ab initio-based global potential energy surface

scientific article published on 01 October 2020

Trapping of the OH Radical by α-Tocopherol: A Theoretical Study

scientific article published in June 2005

List of works by Cipriano Rangel