About: Solvation Free Energies of Small Amines: An Interpretation Thereof and Its GeneralSignificance

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/1998/volume_38/issue_2/w
Subject	Article
Title	Solvation Free Energies of Small Amines: An Interpretation Thereof and Its GeneralSignificance
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/1998/volume_38/issue_2/101021ci9702297/m/print http://hub.abes.fr/acs/periodical/jcics1/1998/volume_38/issue_2/101021ci9702297/m/web
related by	http://hub.abes.fr/acs/periodical/jcics1/1998/volume_38/issue_2/101021ci9702297/authorship/1
Author	Miklavc A.
Abstract	It is shown that by taking into account thethermodynamic contributions due to the internal rotations,thediscrepancy between the experimental and the computed values ofsolvation free energies of small aminesreported recently could be resolved. Arguments are presented as towhy such contributions do not arise insimilar studies involving, e.g., ethane or propane.
article type	research-article
is part of this journal	Journal of Chemical Information and Computer Sciences

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