Geometry, solvent, and polar effects on the relationship between calculated core-electron binding energy shifts (ΔCEBE) and Hammett substituent (σ) constants

Journal of Molecular Structure: THEOCHEM

Volumn 758, Issue 1, 2006, Pages 61-69

  Segala, Maximiliano ^a   Takahata, Yuji ^a   Chong, Delano P ^b  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Benzenes; CEBE shift; DFT; Hammett ; LFER

Indexed keywords

EID: 30944464977     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.10.004     Document Type: Article

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