Výsledky vyhledávání - "Valentina Parravicini"

Akademický článek

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

Autor: Camilla Calabrese, Assimo Maris, Luca Evangelisti, Anna Piras, Valentina Parravicini, Sonia Melandri

Publikováno v: Frontiers in Chemistry, Vol 6 (2018)

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

Externí odkaz: https://doaj.org/article/2ffb8d8affe44565840132659ffcc2ca

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Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and electronic resonances

Autor: Valentina Parravicini, Thomas-C. Jagau

Publikováno v: Molecular Physics

The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed different variants

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4346981cd8cdf7b49606a456e3f2e573

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

Autor: Assimo Maris, Valentina Parravicini, Camilla Calabrese, Luca Evangelisti, Anna Piras, Sonia Melandri

Publikováno v: Frontiers in Chemistry, Vol 6 (2018)
Frontiers in Chemistry
Calabrese, Camilla ; Maris, Assimo ; Evangelisti, Luca ; Piras, Anna ; Parravicini, Valentina ; Melandri, Sonia (2018) Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters. Frontiers in Chemistry, 6 .

none 6 no 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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34da91c9d23afd30f26297770c009359
http://journal.frontiersin.org/article/10.3389/fchem.2018.00025/full

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