First-principles determination of the structure of NaN and NaN- clusters with up to 80 atoms

Journal of Chemical Physics

Volumn 134, Issue 16, 2011, Pages

  Aguado, Andrés ^a   Kostko, Oleg ^b  

^a UNIVERSITY OF VALLADOLID   (Spain)

^b UNIVERSITY OF FREIBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOM CLUSTERS; ATOM STRUCTURE; ATOMIC SHELL; BASIN HOPPING; BOND STRAIN; CLUSTER ANIONS; CLUSTER STABILITY; CRITICAL SIZE; ELECTRON SHELLS; EMPIRICAL POTENTIALS; FIRST-PRINCIPLES; GEOMETRICAL PACKING; GLOBAL MINIMUM; MELTING BEHAVIOR; PHOTOEMISSION SPECTRA; RELATIVE STABILITIES; REOPTIMIZATION; SHAPE DESCRIPTORS; SODIUM CLUSTERS; THEORETICAL FRAMEWORK;

DENSITY FUNCTIONAL THEORY; ELECTRONIC DENSITY OF STATES; EMISSION SPECTROSCOPY; OPTIMIZATION; SODIUM;

ATOMS;

EID: 79955678104     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3582911     Document Type: Article

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