Theoretical study of the oxidative reaction between AlH 2 and H 2O 2: A remarkable neutral tetravalent aluminium structure

Journal of Molecular Structure: THEOCHEM

Volumn 683, Issue 1-3, 2004, Pages 89-96

  Allouti, F ^a   Alikhani, M E ^a  

^a SORBONNE UNIVERSITÉ   (France)

Author keywords

AIM and ELF topologies; Density functional theory; NBO analysis; Reaction path

Indexed keywords

ALUMINUM DERIVATIVE; ALUMINUM DIHYDRIDE; HYDROGEN PEROXIDE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ENERGY; MOLECULAR DYNAMICS; OXIDATION; SURFACE PROPERTY; THEORETICAL STUDY;

EID: 4544268650     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.06.018     Document Type: Article

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