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Etude des interactions intermoléculaires dans les agrégats ioniques et neutres par différentes méthodes théoriques

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par Naà¯ma TURKI
Université Des Sciences et de la Technolgie Houari Boumediene - Doctorat d'Etat En Chimie 2007
  

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Articles Internationaux

Le travail de cette thèse a donné lieu à deux d'articles internationaux publiés:

1) THEORITICAL STUDY OF THE OH-(H2O)2 SYSTEM :

NATURE AND IMPORTANCE OF THREE BODY INTERACTIONS N.Turki, A.Milet, A.Rahmouni, O.Ouamerali, R.Moszynski, E.Kochanski, and P.E.S.Wormer, J. Chem. Phys. 109, 7 157(1998).

2) The OH-(H2O)2 SYSTEM : EFFICIENCY OF AB INITIO AND DFT

CALCULATIONS FOR TWO AND THREE-BODY INTERACTIONS

Turki Naima, Milet Anne, Ouamerali Ourida, Moszynski Robert,

Kochanski Elise, J. Mol. Struct. (Theochem) 577, 239 (2002).

Journal of molecular structure. Theochem ISSN 0166-1280 CODEN JMOSB4.
· Un autre article, portant sur les interactions intermoléculaires dans les molécules RbOH sera concrétisé prochainement.

Perspectives

Le travail réalisé a donné des résultats qui ont amélioré la connaissance des systèmes étudiés et qui sont importants dans les domaines de chimie, biologie et physique. Ceci nous encourage à poursuivre la modélisation moléculaire pour des systèmes plus difficiles à étudier, en particulier nous nous interessons aux interactions intermoléculaires à courte et grande distance dans les complexes de Van der Waals à couches ouvertes.

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