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Volumn 45, Issue 4, 2004, Pages 1321-1330

Conformational properties of poly(diallyldimethyl ammonium chloride) (PDDA) determined by combination of molecular dynamics, rotational isomeric states and Monte Carlo procedures

Author keywords

Conformational properties; Poly(diallyldimethyl ammonium chloride) (PDDA); Unperturbed dimensions

Indexed keywords

BOUNDARY CONDITIONS; COMPUTER SIMULATION; CONFORMATIONS; DIMERS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY;

EID: 1642473079     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2003.06.002     Document Type: Article
Times cited : (18)

References (25)
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    • Marcelo G, PhD Dissertation, University of Alcalá. In preparation.
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    • M. Potschka, & P.L. Dubin. Washington DC: American Chemical Society
    • Potschka M., Dubin P.L. Strategies in size exclusion chromatography. 1996;American Chemical Society, Washington DC.
    • (1996) Strategies in Size Exclusion Chromatography
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    • Aldrich, Catalog number 40,903-0
    • Aldrich, Catalog number 40,903-0.
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    • Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England.
    • Forester TR, Smith W. DL_POLY (Ver. 2.10), Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England.
    • DL_POLY (Ver. 2.10)
    • Forester, T.R.1    Smith, W.2
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    • http://www.amber.ucsf.edu/amber/dbase.html; http://pharmacy.man.ac.uk/ amber/
    • http://www.amber.ucsf.edu/amber/amber.html ; http://www.amber.ucsf.edu/ amber/dbase.html ; http://pharmacy.man.ac.uk/amber/.
  • 23
    • 0007332098 scopus 로고    scopus 로고
    • Department of Chemistry, Indiana University, Bloomington, IN.
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  • 24
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    • The number of added salt molecules should be large enough as to produce a noticeable effect in the calculation and yet low enough as to represent a reasonable macroscopic concentration. A number of ca. 20 molecules (producing a macroscopic concentration of 1.2 M) represents a good compromise
    • The number of added salt molecules should be large enough as to produce a noticeable effect in the calculation and yet low enough as to represent a reasonable macroscopic concentration. A number of ca. 20 molecules (producing a macroscopic concentration of 1.2 M) represents a good compromise.
  • 25
    • 85030901373 scopus 로고    scopus 로고
    • Strictly speaking, the interactions represented by ω, ω′, etc. are not first order. However, due to the rigidity of the two cycles, the same or very similar interactions appear for a given position of one bond regardless of the orientations of the other two. For this reason, they are assigned to orientations over just one bond
    • Strictly speaking, the interactions represented by ω, ω′, etc. are not first order. However, due to the rigidity of the two cycles, the same or very similar interactions appear for a given position of one bond regardless of the orientations of the other two. For this reason, they are assigned to orientations over just one bond.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.