Density functional theory assessment of molecular structures and energies of neutral and anionic Aln (n = 2-10) clusters

Journal of Physical Chemistry A

Volumn 117, Issue 38, 2013, Pages 9293-9303

  Paranthaman, Selvarengan ^a,b   Hong, Kiryong ^a   Kim, Joonghan ^c   Kim, Dong Eon ^b,d   Kim, Tae Kyu ^a  

^a Pusan National University   (South Korea)

^b Max Plank Center for Attosecond Science   (South Korea)

^c The Catholic University of Korea   (South Korea)

^d Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BETTER PERFORMANCE; COHESIVE ENERGIES; DENSITY FUNCTIONAL THEORY METHODS; DISSOCIATION ENERGIES; ENERGETIC PARAMETERS; META-GENERALIZED GRADIENT APPROXIMATIONS; VERTICAL ELECTRON DETACHMENT ENERGIES; VERTICAL IONIZATION ENERGY;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; LIGHT WEIGHT ROLLING STOCK; MOLECULAR STRUCTURE;

ALUMINUM;

EID: 84884951593     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4074398     Document Type: Article

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