The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction

We present a four-dimensional quantum scattering model to treat reactions of the type CH4 + X → CH3 + XH. The most important feature of the model is that it allows the effect of the symmetric and asymmetric stretching vibrations of CH4 on reactivity to be studied. We used the model to study the CH4...

Полное описание

Библиографические подробности
Главные авторы:	Palma, J, Clary, D
Формат:	Journal article
Язык:	English
Опубликовано:	2000

Схожие документы

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(P-3)+CH4 -> OH+CH3 reaction
по: Palma, J, и др.
Опубликовано: (2000)

The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(P-3)-> CH3+OD reaction
по: Palma, J, и др.
Опубликовано: (2002)

Quantum dynamics of the O(P-3)+CH4 -> CH3+OH reaction
по: Clary, D
Опубликовано: (1999)

QUANTUM SCATTERING CALCULATIONS ON THE CH4+OH-]CH3+H2O REACTION
по: Nyman, G, и др.
Опубликовано: (1994)

Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
по: Remmert, S, и др.
Опубликовано: (2009)

A quantum model Hamiltonian to treat reactions of the type X+YCZ(3)-> XY+CZ(3): Application to O(P-3)+CH4 -> OH+CH3
по: Palma, J, и др.
Опубликовано: (2000)

An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: application to the hydrogen abstraction reactions mu + CH4, H + CH4, D + CH4, and CH3 + CH4.
по: Banks, S, и др.
Опубликовано: (2009)

Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface
по: Remmert, S, и др.
Опубликовано: (2009)

Application of One-Dimensional Semiclassical Transition State Theory to the CH3OH+H -> CH2OH/CH3O+H2 Reactions
по: Shan, X, и др.
Опубликовано: (2018)

Tunnelling and the kinetic isotope effect in CH3 + CH4 → CH4 + CH3: An application of semiclassical transition state theory
по: Burd, T, и др.
Опубликовано: (2018)

PRODUCT STATE-RESOLVED STEREODYNAMICS OF THE REACTION O(D-1)+CH4-]OH+CH3
по: Brouard, M, и др.
Опубликовано: (1995)

Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations
по: Kerkeni, B, и др.
Опубликовано: (2004)

WATER-SOLUBLE, ZERO-VALENT, PLATINUM-P(CH2OH)3 PALLADIUM-P(CH2OH)3 AND NICKEL-P(CH2OH)3 COMPLEXES - CATALYSTS FOR THE ADDITION OF PH3 TO CH2O
по: Harrison, K, и др.
Опубликовано: (1989)

Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl->ClCH3+Cl-
по: Clary, D, и др.
Опубликовано: (1997)

Rate constants for the CH4+H -> CH3+H-2 reaction calculated with a generalized reduced-dimensionality method
по: Palma, J, и др.
Опубликовано: (2002)

Quantum dynamics calculations of the Mu+CH4 -> MuH+CH3 reaction rate constants
по: Kerkeni, B, и др.
Опубликовано: (2006)

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) <==> H(2) + CH(3).
по: Banks, S, и др.
Опубликовано: (2009)

Kinetic Modeling of Series Reaction CH4-CH3OH-DME with CuO-ZnO/-Al2O3 Catalyst
по: Achmad Chumaidi, и др.
Опубликовано: (2018-06-01)

Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study
по: Song, Hongwei, и др.
Опубликовано: (2014)

Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(P-3)
по: Palma, J, и др.
Опубликовано: (2001)

Efficient and selective photocatalytic CH4 conversion to CH3OH with O2 by controlling overoxidation on TiO2
по: Ningdong Feng, и др.
Опубликовано: (2021-08-01)

CH<sub>3</sub>OH<sup>•+</sup> + CH<sub>4</sub> Reaction: Mechanistic Insights and Reaction Rates for Astrochemical and Atmospheric Environments
по: Mauro Satta, и др.
Опубликовано: (2025-02-01)

WATER-SOLUBLE TRIS(HYDROXYMETHYL)PHOSPHINE COMPLEXES WITH NICKEL, PALLADIUM, AND PLATINUM - CRYSTAL-STRUCTURE OF [PD(P(CH2OH)3)4].CH3OH
по: Ellis, J, и др.
Опубликовано: (1992)

Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] → OH + CH[subscript 3] Reaction: Contributions of Quantum Effects
по: Li, Yongle, и др.
Опубликовано: (2014)

Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
по: Banks, S, и др.
Опубликовано: (2007)

Quantum scattering calculations on the S(N)2 reaction Cl-+CH3Br -> ClCH3+Br-
по: Schmatz, S, и др.
Опубликовано: (1999)

Tailored pore-confined single-site iron(III) catalyst for selective CH4 oxidation to CH3OH or CH3CO2H using O2
по: Manav Chauhan, и др.
Опубликовано: (2024-11-01)

Vibrational calculations in formaldehyde: the CH stretch system
по: Rashev Svetoslav, и др.
Опубликовано: (2011-08-01)

Imaging photon-initiated reactions: a study of the Cl(2P(3/2))+CH4-->HCl+CH3 reaction.
по: Bass, M, и др.
Опубликовано: (2005)

Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces.
по: Remmert, S, и др.
Опубликовано: (2011)

Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C6H5CH(CH3)CH(OH)COOH
по: Ludwig R., и др.
Опубликовано: (2002-12-01)

Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C6H5CH(CH3)CH(OH)COOH
по: Ludwig R., и др.
Опубликовано: (2002-12-01)

DOPPLER-RESOLVED LASER PROBING OF PHOTON-INITIATED BIMOLECULAR COLLISIONS O(D(1))+CH4-]OH(V,N)+CH3
по: Brouard, M, и др.
Опубликовано: (1994)

Ch-ch-ch-ch-ch-changes
Опубликовано: (2000-01-01)

Asymmetrically coordinated cobalt single atom on carbon nitride for highly selective photocatalytic oxidation of CH₄ to CH₃OH
по: Ding, Jie, и др.
Опубликовано: (2023)

STRUCTURES OF Ph3SnCH2CH2CH2SO2C6H4Me-p AND IPh2SnCH2CH2CH2SO2C6H4Me-p
по: Howie, R. Alan, и др.
Опубликовано: (1994-09-01)

Quantum-mechanical study of the resonances of the S(N)2 reaction Cl-+CH3Cl -> ClCH3+Cl-
по: Hernandez, M, и др.
Опубликовано: (1999)

A joint strategy for CO2 reduction and CH3OH oxidation at electrode to CO + CH4 and methylal in ionic liquid
по: Hongyan Li, и др.
Опубликовано: (2024-01-01)

Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
по: Kerkeni, B, и др.
Опубликовано: (2004)

Effect of ammonia and water molecule on OH + CH3OH reaction under tropospheric condition
по: Mohamad Akbar Ali, и др.
Опубликовано: (2021-06-01)