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Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks

The interplay of high-resolution rotational spectroscopy and quantum-chemical computations plays an invaluable role in the investigation of biomolecule building blocks in the gas phase. However, quantum-chemical methods suffer from unfavorable scaling with the dimension of the system under considera...

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Detalles Bibliográficos
Autores principales:	Barone, Vincenzo, Di Grande, Silvia, Puzzarini, Cristina
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9863398/ https://www.ncbi.nlm.nih.gov/pubmed/36677970 http://dx.doi.org/10.3390/molecules28020913

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