Vibrational normal modes of polymer nanoparticle dimers using the time-averaged normal coordinate analysis method

Journal of Physical Chemistry A

Volumn 106, Issue 40, 2002, Pages 9174-9180

  Hathorn, Bryan C ^a   Sumpter, Bobby G ^a   Noid, Donald W ^a   Tuzun, Robert E ^b   Yang, Chao ^c  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b STATE UNIVERSITY OF NEW YORK   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; EIGENVALUES AND EIGENFUNCTIONS; MOLECULAR VIBRATIONS; MONOMERS; NANOSTRUCTURED MATERIALS; POLYMERS;

NANOPARTICLE DIMERS;

DIMERS;

EID: 0037058104     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013584f     Document Type: Article

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42. For conciseness in presentation, we have not given the detailed results on the 3000 monomer unit particle dimers and have focused our presentation to the 6000 monomer unit particle dimers. We report the "stretching" frequency of the 3000 monomer unit dimer here because it is the only case where a comparable value is available from the periodic behavior in the center of mass separation in a numerical simulation.