Endometrium 发表于 2025-3-27 00:22:46
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H. Kuokkanen MD, PhDdvances discussed include explicit Kohn-Sham expressions for reactivities, the distinction between localized and extended chemical systems and the associated limitation of the ensemble formulation of density-functional theory, the distinction between isoelectronic and electron-transfer reactivities,解开 发表于 2025-3-28 01:20:52
Zun-Li Shen MD, PhD,Wan-Xing Jia MD,Ming-Zhong Hou MD,Xie-Qing Huang MD,Yan-Xian Cai MD,Lan Wang MD,d and inter-reactant-coupling modes. The charge-coupling information in the atoms-in-molecules resolution is modelled by the hardness matrix, which provides the canonical input data for determining a series of chemically interesting probes for diagnosing reactivity trends. A survey of these conceptsMOCK 发表于 2025-3-28 03:30:01
, is also briefly reviewed, with the derivations and development concepts of these corrections, in Sect. 6.4. Finally, the vector potential correction for describing magnetic properties and current is explained, with derivations and applications, in Sect. 6.5.Charlatan 发表于 2025-3-28 10:09:46
Jin Wang Kim MD, PhD,Joung Ok Lee MDon DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and 978-3-031-22342-6978-3-031-22340-2Series ISSN 3005-0286 Series E-ISSN 3005-0294BRIBE 发表于 2025-3-28 10:42:37
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