Description: Ground-state structures of polymers

This title appears in the Scientific Report : 2001

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...

Personal Name(s):	Hauck, J.
	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):	J polymer structures reduced unit cells structure maps self-coordination numbers interactions
	Publikationsportal JuSER

Please use the identifier: http://dx.doi.org/10.1002/jcc.1144 in citations.

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.