Nuclear magnetic resonance parameters in water dimer

Theoretical Chemistry Accounts

Volumn 129, Issue 3-5, 2011, Pages 313-324

  Pennanen, Teemu S ^a,b   Lantto, Perttu ^a   Hakala, Mikko ^b   Vaara, Juha ^a,b  

^a UNIVERSITY OF OULU   (Finland)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Density functional theory; Direct and indirect interaction effects; Hydrogen bonding; Nuclear shielding; Property surfaces; Quadrupole coupling; Spin spin coupling

Indexed keywords

EID: 79955928979     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0782-y     Document Type: Article

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