Structural, spectroscopic and electronic properties of hydrogen-bonded water molecules in crystals. Ab initio calculations and experimental data of MCl2 · n(H,D)2O, M = Sr or Ba

Journal of Molecular Structure

Volumn 436-437, Issue , 1997, Pages 233-245

  Moller H ^a   Niu, J E ^a   Lutz, H D ^a   Schwarz, W H E ^a  

^a UNIVERSITY OF SIEGEN   (Germany)

Author keywords

Ab initio calculations; Alkaline earth chloride hydrates; Water molecules in crystal fields

Indexed keywords

EID: 0042441332     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(97)00202-0     Document Type: Article

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