Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters

We describe an experimental and quantum chemical study for the accurate determination of the conformational space of small molecular systems governed by intramolecular non-covalent interactions. The model systems investigated belong to the biological relevant aminoalcohol's family, and include 2-ami...

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Principais autores:	Camilla Calabrese, Assimo Maris, Luca Evangelisti, Anna Piras, Valentina Parravicini, Sonia Melandri
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Frontiers Media S.A. 2018-02-01
coleção:	Frontiers in Chemistry
Assuntos:	rotational spectroscopy quantum chemical calculations atom in molecules theory molecular structure hydrogen bond N-methyl-2-aminoethanol
Acesso em linha:	http://journal.frontiersin.org/article/10.3389/fchem.2018.00025/full
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