Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface

Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface

書誌詳細
主要な著者:	Remmert, S, Banks, S, Clary, D
フォーマット:	Journal article
出版事項:	2009

類似資料

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)

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

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

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)

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

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

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)

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

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

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

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

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)

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)

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)

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)

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)

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)

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)

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)

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

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)

ASSIGNMENT OF AN ELECTRONIC SPECTRUM OF Zn(CH3)2 + VIA AB INITIO CALCULATIONS
著者:: Fang, Eric, 等
出版事項: (1994-07-01)

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

Ab Initio rate constants from hyperspherical quantum scattering: Application to H+C2H6 and H+CH3OH
著者:: Kerkenl, B, 等
出版事項: (2004)

Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OH.
著者:: Kerkeni, B, 等
出版事項: (2004)

EXPERIMENTAL AND RRKM MODELING STUDY OF THE CH3+H AND CH3+D REACTIONS
著者:: Brouard, M, 等
出版事項: (1989)

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)

The microwave spectra of CH3NCS and CH3SCN
出版事項: (2004)

Spatial deorientation of upper-Stark-state-selected supersonic beams of CH3F, CH3Cl, CH3Br, and CH3I
著者:: Harland, P, 等
出版事項: (1999)

Properties of a-C:H films deposited in CH4 H2 and CH4he DC plasma
著者:: Awang, R., 等
出版事項: (2009)

Incoming Editor's Column: Ch-ch-ch-ch-changes (turn and face the strain)
著者:: Robert Gerrity
出版事項: (2011-12-01)

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

Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
著者:: Wang, Yan, 等
出版事項: (2015)

Crystal structure of anhydrous tetraethylammonium chloride, [(CH3CH2)4N]Cl
著者:: Staples R. J.
出版事項: (1999-06-01)

Elucidations of electronic and optical properties of the w‐ZnCh (Ch=O, S and Se) compounds: Insights from Ab‐initio calculations and spectroscopy measurements
著者:: Mohamed Salah Halati, 等
出版事項: (2024-12-01)

Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis
著者:: Elsamra, Rehab Mohamed Ibrahim, 等
出版事項: (2017)

Crystal structure of 1,3,5,7-tetrapropyl-2,4,6,8,9,10-hexathiaadamantane, C4S6(CH2CH2CH3)4
著者:: Mahjoub A., 等
出版事項: (2001-04-01)

Quantum scattering study of the abstraction reactions of H atoms from CH3NH2
著者:: Kerkeni, B, 等
出版事項: (2007)