hauteur
发表于 2025-3-23 11:53:42
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saphenous-vein
发表于 2025-3-23 16:02:57
A New Generation of Doubly Hybrid Density Functionals (DHDFs),baren Größen seiner Zunft. Eine seiner jüngsten Arbeiten, ., erschienen im Herbst 1998, vereinigt Überlegungen zu einem lange umkreisten Gegenstand und verdichtet mit ihrer Erkundung der Geschlechterverhältnisse die grundlegenden Fragen der bourdieuschen Soziologie nach der gesellschaftlichen Bestim
正常
发表于 2025-3-23 19:16:52
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NICE
发表于 2025-3-23 23:00:36
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Insensate
发表于 2025-3-24 03:36:24
Book 2014nt of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accurac
态度暖昧
发表于 2025-3-24 07:15:48
An Introduction to HTML and JavaScriptave examined the DHDFs’ performance in the prediction of heats of formation (HOFs, .), ionization potentials (IPs, .), electron affinities (EAs, .), bond dissociation energies (BDEs, .), reaction barrier heights (RBHs, .), and noncovalent interactions (NCIs, .) using some well-established benchmarking data sets.
Chameleon
发表于 2025-3-24 13:48:02
https://doi.org/10.1007/978-1-84628-657-5the literature. We then outline, in ., the limitations and the anticipated future development for the XYG3 type of DHDFs. Finally, a perspective is presented, which highlights some fundamental issues in the ground state KS-DFT.
llibretto
发表于 2025-3-24 15:04:00
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LITHE
发表于 2025-3-24 21:18:01
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异端邪说2
发表于 2025-3-25 01:54:20
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