Broken-symmetry and approximate spin-projected potential energy curves for bimetallic systems: A density functional study of M2Cl9, M = CrIII, MoIII, WIII, and ReIV

Journal of Physical Chemistry A

Volumn 101, Issue 35, 1997, Pages 6265-6272

  McGrady, John E ^a   Stranger, Robert ^a   Lovell, Timothy ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; LOCAL DENSITY APPROXIMATION (LDA); SPIN PROJECTED POTENTIAL ENERGY CURVES;

APPROXIMATION THEORY; BOND STRENGTH (CHEMICAL); CHLORINE COMPOUNDS; CHROMIUM; CRYSTAL ATOMIC STRUCTURE; ELECTRON ENERGY LEVELS; MOLYBDENUM; RHENIUM; TUNGSTEN;

BIMETALS;

EID: 0031211875     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9625568     Document Type: Article

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