Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

Vincent Liégeois; O. Quinet; Benoît Champagne

doi:10.1002/qua.21054

Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

Vincent Liégeois, O. Quinet, Benoît Champagne

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

Using theoretical simulations on polyethylene segments, it is demonstrated that vibrational Raman optical activity is highly sensitive to helicity, more than the conventional Raman technique. Therefore, it can be used to probe helicity and conformations of synthetic polymers.

langue originale	Anglais
Pages (de - à)	3097-3107
Nombre de pages	11
journal	International Journal of Quantum Chemistry
Volume	106
Numéro de publication	15
Les DOIs	https://doi.org/10.1002/qua.21054
Etat de la publication	Publié - 1 déc. 2006

Accès au document

10.1002/qua.21054

Autres fichiers et liens

Link to publication in Scopus

Développement du Centre ISCF
Champagne, B. (Responsable du Projet), VIGNERON, J.-P. (Responsable du Projet), Derycke, I. (Rôle de support), Fripiat, J. (Chercheur), Lambin, P. (Chercheur), Schievekamp, I. (Rôle de support), Vercauteren, D. (Chercheur), Wautelet, F. (Rôle de support) & Wouters, J. (Co-investigateur)
1/01/95 → 31/12/12
Projet: Recherche

Plateforme Technologique Calcul Intensif
Champagne, B. (!!Manager)
Plateforme technologique Calcul intensif
Equipement/installations: Plateforme technolgique

A vibrational Raman Optical Activity study of helical oligomers
Liégeois, V. (Auteur), Champagne, B. (Promoteur), 2006
Student thesis: DEA types › DEA en Chimie
Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures
Liégeois, V. (Auteur), Thiry, P. (Jury), Verbiest, T. (Jury), Hug, W. (Jury), Ruud, K. (Jury), Su, B. L. (Jury) & Champagne, B. (Promoteur), 19 juin 2008
Student thesis: Doc types › Docteur en Sciences

Contient cette citation

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abstract = "Using theoretical simulations on polyethylene segments, it is demonstrated that vibrational Raman optical activity is highly sensitive to helicity, more than the conventional Raman technique. Therefore, it can be used to probe helicity and conformations of synthetic polymers.",

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Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

Résumé

Accès au document

Autres fichiers et liens

Empreinte digitale

Projets

Développement du Centre ISCF

Équipement

Plateforme Technologique Calcul Intensif

Thèses de l'étudiant

A vibrational Raman Optical Activity study of helical oligomers

Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures

Contient cette citation