New insights into applicability of electron-counting rules in transition metal encapsulating Ge cage clusters

Journal of Physical Chemistry A

Volumn 114, Issue 50, 2010, Pages 12986-12991

  Bandyopadhyay, Debashis ^a   Kaur, Prabhsharan ^b   Sen, Prasenjit ^c  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

^b NATIONAL INSTITUTE OF TECHNOLOGY   (India)

^c HARISH CHANDRA RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER SIZES; ELECTRON COUNTING; ELECTRONIC STRUCTURE CALCULATIONS; EMBEDDING ENERGY; ENHANCED STABILITY; FIRST-PRINCIPLES; GEOMETRIC EFFECTS; LOWEST OCCUPIED MOLECULAR ORBITALS; RELATIVE STABILITIES; SEMICONDUCTOR CLUSTERS; SIZE RANGES; VERTICAL DETACHMENT ENERGIES;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ELECTRON GAS; ELECTRONIC STRUCTURE; GERMANIUM; IONIZATION POTENTIAL; MOLECULAR ORBITALS; SCANDIUM; STABILITY;

ELECTRONS;

EID: 78650342462     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp106354d     Document Type: Article

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