Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts A combined computational analysis in monosubstituted cyclohexanes

Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts : A combined computational analysis in monosubstituted cyclohexanes

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 30 vom: 15. Nov., Seite 2647-2658
Auteur principal: Silva Lopez, Carlos (Auteur)
Autres auteurs: Nieto Faza, Olalla, De Proft, Frank, Kolocouris, Antonios
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Grimme's dispersion correction NBO QTAIM Weizsäcker kinetic energy attractive forces axial cyclohexane contacts non-covalent interactions
Accès en ligne Volltext