The interaction of Al atoms with water molecules: A theoretical study

Journal of Chemical Physics

Volumn 131, Issue 17, 2009, Pages

  Lvarez Barcia, S ^a   Flores, J R ^a  

^a UNIVERSITY OF VIGO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO AND DFT CALCULATIONS; COMPACT STRUCTURES; CRITICAL STEPS; DFT METHOD; EFFECTIVE FRAGMENT POTENTIAL METHODS; ELIMINATION PROCESS; LARGE CLUSTERS; LOCAL MINIMUMS; POLARIZABLE CONTINUUM MODEL; SADDLE POINT; THEORETICAL STUDY; WATER MOLECULE;

ATOMS; CONTINUUM MECHANICS; ELECTRON TRANSITIONS; ISOMERIZATION; ISOMERS; MOLECULES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; REACTION KINETICS; SULFUR COMPOUNDS;

ALUMINUM;

EID: 70449339561     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3253049     Document Type: Article

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