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

Internet

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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