Ab initio study of NMR shielding of alkali earth metal ions in water complexes and magnetic moments of alkali earth metal nuclei

Chemical Physics Letters

Volumn 588, Issue , 2013, Pages 57-62

  Antušek, Andrej ^a   Rodziewicz, Pawel ^b   Kȩdziera, Dariusz ^c   Kaczmarek Kȩdziera, Anna ^c   Jaszuński, Michał ^d  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b UNIVERSITY OF BIALYSTOK   (Poland)

^c NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^d INSTITUTE OF ORGANIC CHEMISTRY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; MAGNETIC MOMENTS; METAL IONS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUMERICAL METHODS; SHIELDING;

AB INITIO CALCULATIONS; ALKALI EARTH METAL; CAR-PARRINELLO MOLECULAR-DYNAMICS; COUPLED-CLUSTER SINGLES AND DOUBLES; DYNAMICAL EFFECTS; NUCLEAR MAGNETIC DIPOLE MOMENTS; RELATIVISTIC CORRECTION; SHIELDING CONSTANTS;

METALS;

EID: 84893783792     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.10.018     Document Type: Article

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