Effect of coordination on bond properties: A first principles study

Bulletin of Materials Science

Volumn 31, Issue 3, 2008, Pages 569-572

  Paul, Jaita ^a   Narasimhan, Shobhana ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

Binding curve; Bond length; Coordination number; Density functional theory; Force constant

Indexed keywords

DENSITY FUNCTIONAL THEORY; EQUILIBRIUM CONSTANTS; LEAD; PROBABILITY DENSITY FUNCTION; SILICON; TIN;

BINDING CURVE; BINDING CURVES; BOND LENGTHS; BOND PROPERTIES; COORDINATION NUMBER; EQUILIBRIUM BOND LENGTH; FIRST PRINCIPLES STUDIES; FORCE CONSTANT; FORCE CONSTANTS; INTER-ATOMIC POTENTIAL; PERIODIC STRUCTURES; RADIAL FORCES;

BOND LENGTH;

EID: 48449100588     PISSN: 02504707     EISSN: None     Source Type: Journal    
DOI: 10.1007/s12034-008-0088-z     Document Type: Conference Paper

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