endocarditis 发表于 2025-3-21 17:34:46

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Minikin 发表于 2025-3-21 23:10:25

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上下倒置 发表于 2025-3-22 03:45:47

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伴随而来 发表于 2025-3-22 07:45:38

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Cumulus 发表于 2025-3-22 10:13:36

https://doi.org/10.1007/978-90-481-3862-3ab initio calculations; density functional calculations; molecualr mechanics; potential energy surfaces

托运 发表于 2025-3-22 16:13:51

978-90-481-3861-6Springer Science+Business Media B.V. 2011

托运 发表于 2025-3-22 18:31:14

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syncope 发表于 2025-3-22 21:20:18

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斜坡 发表于 2025-3-23 04:33:23

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终止 发表于 2025-3-23 08:33:33

https://doi.org/10.1007/b102617 shown by explaining the Schrödinger equation and showing how this equation led to the simple Hückel method, from which the extended Hückel method followed. This sets the stage well for ab initio theory, in Chapter 5..QM grew out of studies of blackbody radiation and of the photoelectric effect. Bes
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查看完整版本: Titlebook: Computational Chemistry; Introduction to the Errol G. Lewars Textbook 20112nd edition Springer Science+Business Media B.V. 2011 ab initio