Density Functional Theory studies on interactions of phosphoryl ligands with the Ca2+ cation: Affinity and associated parameters

Journal of Molecular Structure: THEOCHEM

Volumn 911, Issue 1-3, 2009, Pages 46-51

  da Costa, Leonardo Moreira ^a   Carneiro, José Walkimar de M ^a   Paes, Lílian Weitzel Coelho ^a   Romeiro, Gilberto Alves ^a  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

Author keywords

Calcium ion; DFT; Interaction energy; Phosphoryl ligands; Substituent effect

Indexed keywords

EID: 68849102664     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.06.035     Document Type: Article

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