Relationship between calculated core-electron binding energy shifts and Hammett substituent (sigma) constants: I

Journal of Physical Organic Chemistry

Volumn 18, Issue 2, 2005, Pages 187-191

  Takahata, Yuji ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Core electron binding energy difference; Density functional theory; Hammett sigma constant; Monosubstituted benzenes

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CORRELATION METHODS; FREE ENERGY; IONIZATION; PROBABILITY DENSITY FUNCTION;

CORE-ELECTRON BINDING ENERGY (CEBE) DIFFERENCE; HAMMETT SIGMA-CONSTANT; LINEAR REGRESSION; MONOSUBSTITUTED BENZENES;

BENZENE;

EID: 12444343069     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.859     Document Type: Conference Paper

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