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

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид:	Remmert, S, Banks, S, Clary, D
Формат:	Journal article
Хэвлэсэн:	2009

Ижил төстэй зүйлс

Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
-н: Remmert, S, зэрэг
Хэвлэсэн: (2009)

Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
-н: Banks, S, зэрэг
Хэвлэсэн: (2007)

Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces.
-н: Remmert, S, зэрэг
Хэвлэсэн: (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.
-н: Banks, S, зэрэг
Хэвлэсэн: (2009)

Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2004)

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

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(P-3)+CH4 -> OH+CH3 reaction
-н: Palma, J, зэрэг
Хэвлэсэн: (2000)

Quantum dynamics calculations of the Mu+CH4 -> MuH+CH3 reaction rate constants
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2006)

Rate constants for the CH4+H -> CH3+H-2 reaction calculated with a generalized reduced-dimensionality method
-н: Palma, J, зэрэг
Хэвлэсэн: (2002)

Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl->ClCH3+Cl-
-н: Clary, D, зэрэг
Хэвлэсэн: (1997)

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction
-н: Palma, J, зэрэг
Хэвлэсэн: (2000)

Quantum scattering calculations on the S(N)2 reaction Cl-+CH3Br -> ClCH3+Br-
-н: Schmatz, S, зэрэг
Хэвлэсэн: (1999)

QUANTUM SCATTERING CALCULATIONS ON THE CH4+OH-]CH3+H2O REACTION
-н: Nyman, G, зэрэг
Хэвлэсэн: (1994)

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) <==> H(2) + CH(3).
-н: Banks, S, зэрэг
Хэвлэсэн: (2009)

Tunnelling and the kinetic isotope effect in CH3 + CH4 → CH4 + CH3: An application of semiclassical transition state theory
-н: Burd, T, зэрэг
Хэвлэсэн: (2018)

Application of One-Dimensional Semiclassical Transition State Theory to the CH3OH+H -> CH2OH/CH3O+H2 Reactions
-н: Shan, X, зэрэг
Хэвлэсэн: (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
-н: Palma, J, зэрэг
Хэвлэсэн: (2000)

Quantum-mechanical study of the resonances of the S(N)2 reaction Cl-+CH3Cl -> ClCH3+Cl-
-н: Hernandez, M, зэрэг
Хэвлэсэн: (1999)

The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(P-3)-> CH3+OD reaction
-н: Palma, J, зэрэг
Хэвлэсэн: (2002)

Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2004)

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

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

Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(P-3)
-н: Palma, J, зэрэг
Хэвлэсэн: (2001)

ASSIGNMENT OF AN ELECTRONIC SPECTRUM OF Zn(CH3)2 + VIA AB INITIO CALCULATIONS
-н: Fang, Eric, зэрэг
Хэвлэсэн: (1994-07-01)

PRODUCT STATE-RESOLVED STEREODYNAMICS OF THE REACTION O(D-1)+CH4-]OH+CH3
-н: Brouard, M, зэрэг
Хэвлэсэн: (1995)

Ab Initio rate constants from hyperspherical quantum scattering: Application to H+C2H6 and H+CH3OH
-н: Kerkenl, B, зэрэг
Хэвлэсэн: (2004)

Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OH.
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2004)

EXPERIMENTAL AND RRKM MODELING STUDY OF THE CH3+H AND CH3+D REACTIONS
-н: Brouard, M, зэрэг
Хэвлэсэн: (1989)

Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study
-н: Song, Hongwei, зэрэг
Хэвлэсэн: (2014)

The microwave spectra of CH3NCS and CH3SCN
Хэвлэсэн: (2004)

Spatial deorientation of upper-Stark-state-selected supersonic beams of CH3F, CH3Cl, CH3Br, and CH3I
-н: Harland, P, зэрэг
Хэвлэсэн: (1999)

Properties of a-C:H films deposited in CH4 H2 and CH4he DC plasma
-н: Awang, R., зэрэг
Хэвлэсэн: (2009)

Incoming Editor's Column: Ch-ch-ch-ch-changes (turn and face the strain)
-н: Robert Gerrity
Хэвлэсэн: (2011-12-01)

STRUCTURES OF Ph3SnCH2CH2CH2SO2C6H4Me-p AND IPh2SnCH2CH2CH2SO2C6H4Me-p
-н: Howie, R. Alan, зэрэг
Хэвлэсэн: (1994-09-01)

Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
-н: Wang, Yan, зэрэг
Хэвлэсэн: (2015)

Crystal structure of anhydrous tetraethylammonium chloride, [(CH3CH2)4N]Cl
-н: Staples R. J.
Хэвлэсэн: (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
-н: Mohamed Salah Halati, зэрэг
Хэвлэсэн: (2024-12-01)

Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis
-н: Elsamra, Rehab Mohamed Ibrahim, зэрэг
Хэвлэсэн: (2017)

Crystal structure of 1,3,5,7-tetrapropyl-2,4,6,8,9,10-hexathiaadamantane, C4S6(CH2CH2CH3)4
-н: Mahjoub A., зэрэг
Хэвлэсэн: (2001-04-01)

Quantum scattering study of the abstraction reactions of H atoms from CH3NH2
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2007)