First-principle study of molecular springs under shear deformation

Journal of Physical Chemistry A

Volumn 107, Issue 9, 2003, Pages 1377-1383

  Kang, Hong Seok ^a   Bernholc, J ^b  

^a Jeonju University   (South Korea)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL LATTICES; CRYSTAL SYMMETRY; ELASTIC MODULI; ELECTRONIC DENSITY OF STATES; NUMERICAL METHODS; POTENTIAL ENERGY; SHEAR DEFORMATION; SILVER COMPOUNDS; SYNTHESIS (CHEMICAL); X RAY CRYSTALLOGRAPHY;

GENERALIZED GRADIENT APPROXIMATION; KOHN-SHAM EQUATIONS; MOLECULAR SPRINGS; ORGANOSILVER COMPLEXES; PARALLEL DENSITY FUNCTIONAL SIMULATION;

MOLECULAR DYNAMICS;

EID: 0037422382     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0267353     Document Type: Article

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