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Volumn 18, Issue 14, 1997, Pages 1695-1719

A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters

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EID: 0345811545     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19971115)18:14<1695::AID-JCC1>3.0.CO;2-F     Document Type: Article
Times cited : (86)

References (218)
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    • note
    • The perturbation origin in the DFPT treatment was put on hydrogen if not otherwise noted. Fluorine as a perturbation site gives 5-7 Hz reduced Fermi-contact term data.


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