New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis

RD Allington; D Attwood; I Hamerton; JN Hay; BJ Howlin

doi:10.1016/S1089-3156(01)00009-5

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New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis

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New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis

RD Allington, D Attwood, I Hamerton, JN Hay and BJ Howlin

COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, Vol.11(6), pp.467-473

01/01/2001

DOI: https://doi.org/10.1016/S1089-3156(01)00009-5

Abstract

Science & Technology

Physical Sciences

Polymer Science

triazine

cyanurate

cyanate ester

molecular modelling

GROUND-STATES

C-13

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Title: New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis
Creators: RD Allington
D Attwood
I Hamerton
JN Hay
BJ Howlin
Publication Details: COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, Vol.11(6), pp.467-473
Publisher: ELSEVIER SCI LTD
Date published: 01/01/2001
Date submitted: 17/05/2017
Identifiers: 99514354802346
Academic Unit: University of Surrey
Language: English
Resource Type: Journal article

New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis

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