On the nature of Parr functions to predict the most reactive sites along organic polar reactions

Chemical Physics Letters

Volumn 582, Issue , 2013, Pages 141-143

  Chamorro, Eduardo ^a   Pérez, Patricia ^a   Domingo, Luis R ^b  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CONCEPTUAL FRAMEWORKS; DESCRIPTORS; POLAR REACTIONS; REACTIVE SITE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY;

SPIN POLARIZATION;

DENSITY FUNCTIONAL THEORY;

EID: 84883260676     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.07.020     Document Type: Article

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