Normal coordinate analysis for polymer systems: Capabilities and new opportunities

Macromolecular Theory and Simulations

Volumn 11, Issue 7, 2002, Pages 711-728

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

^a STATE UNIVERSITY OF NEW YORK   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Hessian matrix; Molecular dynamics; Normal coordinate analysis; Polyethylene; Sparse matrix diagonalization

Indexed keywords

POLYMER;

CRYSTAL; FORCE; MATHEMATICAL COMPUTING; MELTING POINT; MOLECULAR DYNAMICS; REVIEW; STRUCTURE ANALYSIS; THERMODYNAMICS;

EID: 0037131621     PISSN: 10221344     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3919(20020901)11:7<711::AID-MATS711>3.0.CO;2-L     Document Type: Review

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