Density Functional Calculations

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also...

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Detalles Bibliográficos

Formato:	Online
Lenguaje:	inglés
Publicado:	IntechOpen 2023
Materias:	density functional theory, conceptual dft, dft calculations, nanoparticles, spectroscopy, molecular modeling thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry::PNRP Quantum and theoretical chemistry
Acceso en línea:	ONIX_20231201_9781789231335_1181
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