scholarly journals Erratum: “Dissociative adsorption of H2 on Cu(100): A four-dimensional study of the effect of rotational motion on the reaction dynamics” [J. Chem. Phys. 106, 4248 (1997)]

1999 ◽  
Vol 110 (5) ◽  
pp. 2740-2740 ◽  
Author(s):  
R. C. Mowrey ◽  
G. J. Kroes ◽  
G. Wiesenekker ◽  
E. J. Baerends
Keyword(s):  
Rotational Motion ◽  
Reaction Dynamics ◽  
Chem Phys ◽  
Dissociative Adsorption

scholarly journals Dissociative adsorption of H2 on Cu(100): A four-dimensional study of the effect of rotational motion on the reaction dynamics

1997 ◽  
Vol 106 (10) ◽  
pp. 4248-4259 ◽  
Author(s):  
R. C. Mowrey ◽  
G. J. Kroes ◽  
G. Wiesenekker ◽  
E. J. Baerends
Keyword(s):  
Rotational Motion ◽  
Reaction Dynamics ◽  
Dissociative Adsorption

Role of Rotational Motion in the Dissociative Adsorption and Associative Desorption Dynamics ofD2/Cu(111)

1997 ◽  
Vol 78 (2) ◽  
pp. 286-289 ◽  
Author(s):  
Wilson Agerico Diño ◽  
Hideaki Kasai ◽  
Okiji Ayao
Keyword(s):  
Rotational Motion ◽  
Dissociative Adsorption

scholarly journals Erratum: “A comparative study of the Si+O2→SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods” [J. Chem. Phys. 128, 174307 (2008)]

2009 ◽  
Vol 130 (4) ◽  
pp. 049901 ◽  
Author(s):  
Fabrice Dayou ◽  
Pascal Larrégaray ◽  
Laurent Bonnet ◽  
Jean-Claude Rayez ◽  
Pedro Nilo Arenas ◽  
...  
Keyword(s):  
Comparative Study ◽  
Reaction Dynamics ◽  
Chem Phys

scholarly journals Dissociative adsorption of NO upon Al(111): Orientation dependent charge transfer and chemisorption reaction dynamics

2002 ◽  
Vol 117 (18) ◽  
pp. 8185-8189 ◽  
Author(s):  
Andrew J. Komrowski ◽  
Ho̊kan Ternow ◽  
Behrooz Razaznejad ◽  
Bart Berenbak ◽  
Jonathon Z. Sexton ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Reaction Dynamics ◽  
Dissociative Adsorption

scholarly journals Correction: A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry

2020 ◽  
Vol 22 (47) ◽  
pp. 27914-27915
Author(s):  
Jun Li ◽  
Kaisheng Song ◽  
Jörg Behler
Keyword(s):  
Neural Network ◽  
Reaction Dynamics ◽  
Chem Phys ◽  
Permutation Symmetry ◽  
Critical Comparison ◽  
Molecular Reaction ◽  
Phys Chem Chem Phys

Correction for ‘A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry’ by Jun Li et al., Phys. Chem. Chem. Phys., 2019, 21, 9672–9682, DOI: 10.1039/C8CP06919K.

DIABATIC ELECTRONIC MANIFOLD OF HN2(2A′) AND N + NH REACTION DYNAMICS ON ITS LOWEST ADIABAT

2009 ◽  
Vol 08 (05) ◽  
pp. 849-859 ◽  
Author(s):  
V. C. MOTA ◽  
P. J. S. B. CARIDADE ◽  
A. J. C. VARANDAS
Keyword(s):  
Statistical Error ◽  
Reaction Dynamics ◽  
Chem Phys ◽  
Classical Trajectory ◽  
Title Reaction ◽  
Title System ◽  
Trajectory Method ◽  
Method Yield ◽  
Potential Matrix ◽  
Adiabatic Dynamics

A previously reported approach [J. Chem. Phys.97:867, (1997)] to back transform the diagonal adiabats into a 2 × 2 diabatic potential matrix has been utilized to generate a global multi-sheeted form for the title system. Global adiabatic dynamics calculations carried out on the new form using the quasi-classical trajectory method yield results that lie essentially within the statistical error of similar calculations performed on the best surface reported thus far for the title reaction. This makes it suitable for future adiabatic and nonadiabatic calculations carried out either using classical or quantum methods.

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