Low-spin complexes of Ni2+ with six NH3 and H2O ligands: A DFT-RX3LYP study

Journal of Molecular Structure: THEOCHEM

Volumn 902, Issue 1-3, 2009, Pages 21-32

  Varadwaj, Pradeep R ^a,b   Cukrowski, Ignacy ^a   Marques, Helder M ^c  

^a UNIVERSITY OF PRETORIA   (South Africa)

^b SAHA INSTITUTE OF NUCLEAR PHYSICS   (India)

^c UNIVERSITY OF THE WITWATERSRAND   (South Africa)

Author keywords

Bond critical point; Coordination chemistry of Ni2+; Hydrogen bonding; Ring critical point; Topological analysis; X3LYP

Indexed keywords

EID: 63449119005     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.02.001     Document Type: Article

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