A new algorithm for the evaluation of the global hardness of polyatomic molecules

Molecular Physics

Volumn 109, Issue 6, 2011, Pages 917-931

  Islam, Nazmul ^a   Chandra Ghosh, Dulal ^a  

^a UNIVERSITY OF KALYANI   (India)

Author keywords

charge transfer; commonality of electronegativity and hardness; electronegativity; electrostatic theorems for computing hardness; equalization principles; hardness

Indexed keywords

APPROXIMATE FORMULAS; ATOMIC RADIUS; COMMONALITY OF ELECTRONEGATIVITY AND HARDNESS; ELECTRONEGATIVITY EQUALIZATION; EQUALIZATION PRINCIPLES; EXCHANGE REACTION; HARD-SOFT ACID-BASE; HARDNESS VALUES; PHYSICOCHEMICAL PROPERTY; POLYATOMIC MOLECULES; REACTION SURFACES;

APPROXIMATION ALGORITHMS; ATOMS; CALIFORNIUM; CHARGE TRANSFER; CHEMICAL BONDS; CHEMICAL PROPERTIES; COMPUTATION THEORY; ELECTRONEGATIVITY; ELECTROSTATICS; ION EXCHANGE; MASS TRANSFER; MOLECULES; SURFACE REACTIONS;

HARDNESS;

EID: 79953010374     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.558856     Document Type: Article

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