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1دورية أكاديمية
المصدر: Техника и технология пищевых производств, Vol 52, Iss 4, Pp 718-728 (2022)
مصطلحات موضوعية: acetylcholine, density functional theory, dispersion corrections, crystal and electronic structure, vibrational modes, Food processing and manufacture, TP368-456
وصف الملف: electronic resource
العلاقة: https://fptt.ru/en/issues/21089/21051Test/; https://doaj.org/toc/2074-9414Test; https://doaj.org/toc/2313-1748Test
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2دورية أكاديمية
المساهمون: The Pennsylvania State University CiteSeerX Archives
مصطلحات موضوعية: Key words, density functional, variationally consistent fitting, exchange-correlation potential
وصف الملف: application/pdf
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المؤلفون: Aleksei B. Gordienko, Vladimir A. Nasluzov, Uwe Birkenheuer, Notker Rösch, Monika K. Fuchs-Rohr
المصدر: International Journal of Quantum Chemistry. 102:743-761
مصطلحات موضوعية: Physics, Basis (linear algebra), Kohn–Sham equations, Hartree, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Numerical integration, Matrix (mathematics), Computational chemistry, Coulomb, Statistical physics, Physical and Theoretical Chemistry, Local-density approximation, Basis set
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::623973f47fea8d8ae66887db5dfb96c8Test
https://doi.org/10.1002/qua.20447Test