Ground and low-lying states of Cu2+-H2O. A difficult case for density functional methods

Journal of Physical Chemistry A

Volumn 108, Issue 28, 2004, Pages 6072-6078

  Poater, J ^a   Sola M ^a   Rimola, A ^b   Rodriguez Santiago L ^b   Sodupe, M ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CATALYSIS; COPPER; CORRELATION METHODS; DISSOCIATION; ELECTRONS; MASS SPECTROMETRY; ORGANOMETALLICS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; STABILITY; TRANSITION METALS; WATER;

ELECTRON HOLE; GAS PHASE; METAL ION CHEMISTRY; RELATIVE STABILITIES;

GROUND STATE;

EID: 3442891774     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0487657     Document Type: Article

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