Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions-Reference-Cited by-同舟云学术

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Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions

Published:2018-12-28 Issue:6 Volume:40 Page:794-810
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Robertson Christopher¹^ORCID,González-Vázquez Jesús²³,Corral Ines³²,Díaz-Tendero Sergio⁴²³,Díaz Cristina²³⁴^ORCID

Affiliation:

1. Department of Chemistry and Centre for Scientific Computing; University Of Warwick, CV4 7AL; Coventry United Kingdom

2. Departamento de Química Módulo 13; Universidad Autónoma de Madrid, 28049; Madrid Spain

3. Institute for Advanced Research in Chemistry (IAdChem); Universidad Autónoma de Madrid, 28049; Madrid Spain

4. Condensed Matter Physics Center (IFIMAC); Universidad Autónoma de Madrid, 28049; Madrid Spain

Funder

Ministerio de Ciencia e Innovación

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25764/fullpdf

Reference105 articles.

1. Electronic excitations by chemical reactions on metal surfaces

2. Energy transfer and chemical dynamics at solid surfaces: The special role of charge transfer

3. Vibrational Promotion of Electron Transfer

4. Dynamical steering in an electron transfer surface reaction: Oriented NO(v = 3, 0.08 < Ei < 0.89 eV) relaxation in collisions with a Au(111) surface

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