On the calculations of the nuclear shielding constants in small water clusters

Chemical Physics

Volumn 323, Issue 2-3, 2006, Pages 218-230

  Cybulski, Hubert ^a   Sadlej, Joanna ^a  

^a UNIVERSITY OF WARSAW   (Poland)

Author keywords

Ab initio calculations; Density functional theory; Magnetic properties; NMR shielding constants; Water clusters

Indexed keywords

EID: 33646070290     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.08.063     Document Type: Article

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