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...

書誌詳細
主要な著者:	Palma, J, Clary, D
フォーマット:	Journal article
言語:	English
出版事項:	2000

類似資料

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(P-3)+CH4 -> OH+CH3 reaction
著者:: Palma, J, 等
出版事項: (2000)

The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(P-3)-> CH3+OD reaction
著者:: Palma, J, 等
出版事項: (2002)

Quantum dynamics of the O(P-3)+CH4 -> CH3+OH reaction
著者:: Clary, D
出版事項: (1999)

QUANTUM SCATTERING CALCULATIONS ON THE CH4+OH-]CH3+H2O REACTION
著者:: Nyman, G, 等
出版事項: (1994)

Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
著者:: Remmert, S, 等
出版事項: (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
著者:: Palma, J, 等
出版事項: (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.
著者:: Banks, S, 等
出版事項: (2009)

Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface
著者:: Remmert, S, 等
出版事項: (2009)

Application of One-Dimensional Semiclassical Transition State Theory to the CH3OH+H -> CH2OH/CH3O+H2 Reactions
著者:: Shan, X, 等
出版事項: (2018)

Tunnelling and the kinetic isotope effect in CH3 + CH4 → CH4 + CH3: An application of semiclassical transition state theory
著者:: Burd, T, 等
出版事項: (2018)

PRODUCT STATE-RESOLVED STEREODYNAMICS OF THE REACTION O(D-1)+CH4-]OH+CH3
著者:: Brouard, M, 等
出版事項: (1995)

Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations
著者:: Kerkeni, B, 等
出版事項: (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
著者:: Harrison, K, 等
出版事項: (1989)

Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl->ClCH3+Cl-
著者:: Clary, D, 等
出版事項: (1997)

Rate constants for the CH4+H -> CH3+H-2 reaction calculated with a generalized reduced-dimensionality method
著者:: Palma, J, 等
出版事項: (2002)

Quantum dynamics calculations of the Mu+CH4 -> MuH+CH3 reaction rate constants
著者:: Kerkeni, B, 等
出版事項: (2006)

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) <==> H(2) + CH(3).
著者:: Banks, S, 等
出版事項: (2009)

Kinetic Modeling of Series Reaction CH4-CH3OH-DME with CuO-ZnO/-Al2O3 Catalyst
著者:: Achmad Chumaidi, 等
出版事項: (2018-06-01)

Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study
著者:: Song, Hongwei, 等
出版事項: (2014)

Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(P-3)
著者:: Palma, J, 等
出版事項: (2001)

Efficient and selective photocatalytic CH4 conversion to CH3OH with O2 by controlling overoxidation on TiO2
著者:: Ningdong Feng, 等
出版事項: (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
著者:: Mauro Satta, 等
出版事項: (2025-02-01)

WATER-SOLUBLE TRIS(HYDROXYMETHYL)PHOSPHINE COMPLEXES WITH NICKEL, PALLADIUM, AND PLATINUM - CRYSTAL-STRUCTURE OF [PD(P(CH2OH)3)4].CH3OH
著者:: Ellis, J, 等
出版事項: (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
著者:: Li, Yongle, 等
出版事項: (2014)

Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
著者:: Banks, S, 等
出版事項: (2007)

Quantum scattering calculations on the S(N)2 reaction Cl-+CH3Br -> ClCH3+Br-
著者:: Schmatz, S, 等
出版事項: (1999)

Tailored pore-confined single-site iron(III) catalyst for selective CH4 oxidation to CH3OH or CH3CO2H using O2
著者:: Manav Chauhan, 等
出版事項: (2024-11-01)

Vibrational calculations in formaldehyde: the CH stretch system
著者:: Rashev Svetoslav, 等
出版事項: (2011-08-01)

Imaging photon-initiated reactions: a study of the Cl(2P(3/2))+CH4-->HCl+CH3 reaction.
著者:: Bass, M, 等
出版事項: (2005)

Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces.
著者:: Remmert, S, 等
出版事項: (2011)

Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C6H5CH(CH3)CH(OH)COOH
著者:: Ludwig R., 等
出版事項: (2002-12-01)

Crystal structure of erythro-2-hydroxy-3-phenylbutyric acid, C6H5CH(CH3)CH(OH)COOH
著者:: Ludwig R., 等
出版事項: (2002-12-01)

DOPPLER-RESOLVED LASER PROBING OF PHOTON-INITIATED BIMOLECULAR COLLISIONS O(D(1))+CH4-]OH(V,N)+CH3
著者:: Brouard, M, 等
出版事項: (1994)

Ch-ch-ch-ch-ch-changes
出版事項: (2000-01-01)

Asymmetrically coordinated cobalt single atom on carbon nitride for highly selective photocatalytic oxidation of CH₄ to CH₃OH
著者:: Ding, Jie, 等
出版事項: (2023)

STRUCTURES OF Ph3SnCH2CH2CH2SO2C6H4Me-p AND IPh2SnCH2CH2CH2SO2C6H4Me-p
著者:: Howie, R. Alan, 等
出版事項: (1994-09-01)

Quantum-mechanical study of the resonances of the S(N)2 reaction Cl-+CH3Cl -> ClCH3+Cl-
著者:: Hernandez, M, 等
出版事項: (1999)

A joint strategy for CO2 reduction and CH3OH oxidation at electrode to CO + CH4 and methylal in ionic liquid
著者:: Hongyan Li, 等
出版事項: (2024-01-01)

Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
著者:: Kerkeni, B, 等
出版事項: (2004)

Effect of ammonia and water molecule on OH + CH3OH reaction under tropospheric condition
著者:: Mohamad Akbar Ali, 等
出版事項: (2021-06-01)