This title appears in the Scientific Report :
2001
Please use the identifier:
http://dx.doi.org/10.1002/jcc.1144 in citations.
Ground-state structures of polymers
Ground-state structures of polymers
Two- and three-dimensional structures A(x)B(y) can be characterized by the numbers T-1 and T-2 of nearest and next-nearest neighbors of the same kind. A small number of structures at the border of the T-1, T-2 structure map is stabilized by enthalpy compared to an increased number of entropy stabili...
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Personal Name(s): | Hauck, J. |
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Mika, K. | |
Contributing Institute: |
Weiche Materie; IFF-WM Theorie III; IFF-TH-III |
Published in: | Journal of computational chemistry, 22 (2001) S. 1944 - 1955 |
Imprint: |
New York, NY [u.a.]
Wiley
2001
|
Physical Description: |
1944 - 1955 |
DOI: |
10.1002/jcc.1144 |
Document Type: |
Journal Article |
Research Program: |
Polymere, Membranen und komplexe Flüssigkeiten |
Series Title: |
Journal of Computational Chemistry
22 |
Subject (ZB): | |
Publikationsportal JuSER |
Two- and three-dimensional structures A(x)B(y) can be characterized by the numbers T-1 and T-2 of nearest and next-nearest neighbors of the same kind. A small number of structures at the border of the T-1, T-2 structure map is stabilized by enthalpy compared to an increased number of entropy stabilized structures. About 60 three-dimensional structures with T-1 = 2 nearest neighbors of all A atoms are suitable for infinite chains of polymers like (CH)(infinity), (CHCH2)(infinity), or (CH2)(infinity). (C) 2001 John Wiley & Sons, Inc. |