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Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches

Non-covalent interactions responsible for molecular features and self-assembly in Naphthazarin C polymorph were investigated on the basis of diverse theoretical approaches: Density Functional Theory (DFT), Diffusion Quantum Monte Carlo (DQMC), Symmetry-Adapted Perturbation Theory (SAPT) and Car-Parr...

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Detalles Bibliográficos
Autores principales:	Jezierska, Aneta, Błaziak, Kacper, Klahm, Sebastian, Lüchow, Arne, Panek, Jarosław J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348774/ https://www.ncbi.nlm.nih.gov/pubmed/34360798 http://dx.doi.org/10.3390/ijms22158033

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