Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes

Chemical Physics Letters

Volumn 563, Issue , 2013, Pages 25-29

  Marjolin, A ^a,b   Gourlaouen, C ^c   Clavaguera C ^d   Dognon, J P ^a   Piquemal, J P ^b  

^a CEA SACLAY   (France)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^c UNIVERSITÉ DE STRASBOURG   (France)

^d CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AQUA COMPLEXES; CLOSED SHELLS; ENERGY DECOMPOSITION ANALYSIS; F-ELEMENT CATIONS; POLARIZABLE FORCE FIELD; POLARIZATION ENERGY; PSEUDOPOTENTIALS; UNPAIRED ELECTRONS;

POSITIVE IONS; RARE EARTH ELEMENTS;

ACTINIDES;

EID: 84874939853     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.01.066     Document Type: Article

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