谷类 发表于 2025-3-25 06:07:53

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Pcos971 发表于 2025-3-25 09:33:49

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牛的细微差别 发表于 2025-3-25 13:39:49

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mechanical 发表于 2025-3-25 17:53:19

Applications of Computational Methods to Simulations of Protein Dynamics,well-established theoretical models are successfully used for searching new biochemical phenomena, correlations, and protein properties. In this chapter, the fast-growing field of computer simulations of protein dynamics is panoramically presented. The principles of currently used computational meth

浮夸 发表于 2025-3-25 23:32:02

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表两个 发表于 2025-3-26 02:17:42

Calculation of Excited States: Molecular Photophysics and Photochemistry on Display,lieved to be involved. Life on Earth also depends, both directly and indirectly, on the influence that light has on chemistry. The energy of the Sun’s visible and ultraviolet radiation promotes processes that not only permit the continued existence of life on the planet, but which are keys for evolu

ornithology 发表于 2025-3-26 05:45:32

Chemical Reactions: Thermochemical Calculations,dure is first described, namely, obtaining molecular structures and electronic energies of reactants and products, followed by vibrational frequency calculations and evaluation of thermal corrections. Since it is harder to obtain a given accuracy for some types of reactions than others, some discuss

伸展 发表于 2025-3-26 09:59:08

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猜忌 发表于 2025-3-26 15:29:43

Computational Modeling of DNA and RNA Fragments,nd RNA fragments is presented. Main emphasis is given to the application of different ab initio quantum chemical methods. An overview of computations reveals that quantum chemical methods provide an important means to investigate structures and interactions in nucleic acids. However, judicious selec

效果 发表于 2025-3-26 18:46:11

Computer Representation of Chemical Compounds, for the mapping of these information types. It is not always easy to distinguish between descriptors and properties which are the rare annotations of chemical compounds and often need to be predicted. However, this distinction helps in understanding structure-property approaches and the possible or
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查看完整版本: Titlebook: Handbook of Computational Chemistry; Jerzy Leszczynski Living reference work 20200th edition Chemoinformatics.Density Functional.Electron