Literature DB >> 16956248

Comment on the paper "On the limits of highest-occupied molecular orbital driven reactions: the frontier effective-for-reaction molecular orbital concept".

Zvonimir B Maksić1, Robert Vianello.   

Abstract

Year:  2006        PMID： 16956248     DOI： 10.1021/jp061030c

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


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  2 in total

1.  In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity.

Authors:  Eleonora Echegaray; Carlos Cárdenas; Sandra Rabi; Nataly Rabi; Sungmin Lee; Farnaz Heidar Zadeh; Alejandro Toro-Labbe; James S M Anderson; Paul W Ayers
Journal:  J Mol Model       Date:  2012-10-23       Impact factor: 1.810

2.  Quantitative Structure-Property Relationship (QSPR) Models for a Local Quantum Descriptor: Investigation of the 4- and 3-Substituted-Cinnamic Acid Esterification.

Authors:  Cláudio E Rodrigues-Santos; Aurea Echevarria; Carlos M R Sant'Anna; Thiago B Bitencourt; Maria G Nascimento; Glauco F Bauerfeldt
Journal:  Molecules       Date:  2015-09-22       Impact factor: 4.411
  2 in total

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