Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods

S Hill; I Hamerton; JN Hay; BJ Howlin

doi:10.1016/S0032-3861(02)00244-6

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Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods

Journal article

Peer reviewed

Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods

S Hill, I Hamerton, JN Hay and BJ Howlin

POLYMER, Vol.43(15), pp.4103-4110

01/07/2002

DOI: https://doi.org/10.1016/S0032-3861(02)00244-6

Abstract

Science & Technology

Physical Sciences

Polymer Science

POLYMER SCIENCE

modelling

quantum and classical mechanics simulation

conductivity

CONJUGATED POLYMERS

ELECTRONIC-STRUCTURE

OLIGOMERS

POLY(PARA-PHENYLENE)

SIMULATIONS

ROUTE

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Title: Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods
Creators: S Hill
I Hamerton
JN Hay
BJ Howlin
Publication Details: POLYMER, Vol.43(15), pp.4103-4110
Publisher: ELSEVIER SCI LTD
Date published: 01/07/2002
Date submitted: 17/05/2017
Identifiers: 99514822002346
Academic Unit: University of Surrey
Language: English
Resource Type: Journal article

Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods

Abstract

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