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Volumn 109, Issue 42, 2005, Pages 19897-19907

The conformation of amine- And amide-terminated poly(propylene imine) dendrimers as investigated by molecular simulation methods

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC DENSITY; DENDRITIC BRANCHES; MOLECULAR SIMULATIONS; MOLECULAR VOLUME;

EID: 27744446152     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0520493     Document Type: Article
Times cited : (10)

References (25)
  • 14
    • 27744459404 scopus 로고    scopus 로고
    • Accelrys, formerly Molecular Simulation Inc., 9685 Scranton Road, San Diego, CA, 1997
    • Accelrys, formerly Molecular Simulation Inc., 9685 Scranton Road, San Diego, CA, 1997.
  • 16
    • 27744565091 scopus 로고    scopus 로고
    • note
    • The data extracted from the SA simulations were preferred over those obtained from usual MD methods performed at room temperature, after comparative studies were made.
  • 18
    • 27744522297 scopus 로고    scopus 로고
    • note
    • Typical charges calculated with the Qeq method for an extended conformer of an amine- and amide-terminated dendrimer of the first generation are available as Supporting Information.
  • 23
    • 27744468463 scopus 로고    scopus 로고
    • note
    • Figures describing the morphology/stability/hydrogen bond relationship for the G1 and G2 conformers of the amine- and amide-terminated dendrimers are available as Supporting Information.
  • 25
    • 27744489205 scopus 로고    scopus 로고
    • note
    • The optimized NMA dimer was used as a standard for rating the stability of amide-amide hydrogen bonds, since the hydrogen bond takes place between amide moieties in the absence of any unfavorable orientation effect.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.