A New Approach to Reactive Potentials with Fluctuating Charges: Quadratic Valence-Bond Model

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3076-3084

  Morales, Jorge ^a   Martínez, Todd J ^b  

^a TEXAS TECH UNIVERSITY   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIATOMICS; ELECTRONEGATIVITY; FLUCTUATING CHARGES; WAVE FUNCTION;

CRYSTAL ATOMIC STRUCTURE; HARDNESS; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; OPTIMIZATION; POLARIZATION; THERMODYNAMICS;

CHARGE TRANSFER;

EID: 2342507858     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0369342     Document Type: Article

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