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Reply to 'Comment on the Paper ‘On the Limits of Highest-Occupied Molecular Orbital Driven Reactions: The Frontier Effective-for-Reaction Molecular Orbital Concept''

Authors :
Rio de Janeiro-RJ
Rodrigo R. da Silva
Teodorico C. Ramalho
Joana M. Santos
J. Daniel Figueroa-Villar
Source :
The Journal of Physical Chemistry A. 110:10653-10654
Publication Year :
2006
Publisher :
American Chemical Society (ACS), 2006.

Abstract

Departamento de Qui´mica, Instituto Militar de Engenharia,Pracua General Tibu´rcio, 80, 22290-070, Rio de Janeiro-RJ,Brazil, Departamento de Qui´mica Geral e Inorgaˆnica,Instituto de Qui´mica, UniVersidade do Estado do Rio deJaneiro, Rua Sa˜o Francisco XaVier, 524, 20550-013 Rio deJaneiro-RJ, Brazil, and Departamento de Qui´mica,UniVersidade Federal de LaVras, Campus UniVersita´rio,CP 3037, 37200-000 LaVras-MG, BrazilReceiVed: June 2, 2006Recently, we proposed the frontier effective-for-reactionmolecular orbital (FERMO) concept terminology to identify themolecular orbital (MO) that drives a type of reaction.

Details

ISSN :
15205215 and 10895639
Volume :
110
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry A
Accession number :
edsair.doi...........83a0a5fdd874a769751fdcccbcc2a430
Full Text :
https://doi.org/10.1021/jp068065x