메뉴 건너뛰기




Volumn 118, Issue 49, 1996, Pages 12291-12301

Crystal structures and properties of nylon polymers from theory

Author keywords

[No Author keywords available]

Indexed keywords

NYLON;

EID: 0030443742     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja944125d     Document Type: Article
Times cited : (225)

References (55)
  • 1
    • 0004133516 scopus 로고
    • Gaussian Inc.: Pittsburgh, PA
    • Frisch, M. J.; et al. Gaussian 92; Gaussian Inc.: Pittsburgh, PA, 1992.
    • (1992) Gaussian 92
    • Frisch, M.J.1
  • 2
    • 33744575708 scopus 로고    scopus 로고
    • Biograf/Polygraf from Molecular Simulations Inc., San Diego, CA
    • Biograf/Polygraf from Molecular Simulations Inc., San Diego, CA.
  • 5
    • 33744680810 scopus 로고    scopus 로고
    • note
    • It would probably exhibit a cyclic structure with two hydrogen bonds like the formamide-water and formamide-methanol complexes. For the nylons of interest to this study, the orientation of the two formamide dimers, Figure 2, is different than would be present in the cyclic dimer.
  • 12
    • 3042524904 scopus 로고
    • Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. J. Phys. Chem. 1993, 97, 10269. It is difficult to compare results on the quality of the fits to the H bond potentials since the data presented are only at the minimum in the potential and not over the full range of H-bonding interactions. Note that there is an inaccuracy in the citation (h) of the molecular mechanics data in Table 16 of ref 10. The correct reference for this is ref 48 in this paper and ref 32 in their paper.
    • (1993) J. Phys. Chem. , vol.97 , pp. 10269
    • Bayly, C.I.1    Cieplak, P.2    Cornell, W.D.3    Kollman, P.A.4
  • 28
    • 0004227799 scopus 로고
    • Wiley-Interscience, John Wiley and Sons: New York
    • Kohan, M. I. Nylon Plastics; Wiley-Interscience, John Wiley and Sons: New York, 1973.
    • (1973) Nylon Plastics
    • Kohan, M.I.1
  • 29
    • 33847448152 scopus 로고    scopus 로고
    • note
    • In the a phase, the sheets are easy to define since the methylene spacers are nearly coplanar with the amides, which are H-bonded to amides from the adjacent chains. In the γ phase the methylene spacers are twisted with respect to the amide planes; thus, we refer to the methylene planes as the sheets and consider the amides as H-bonded to chains in adjacent sheets rather than within the same sheet.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.