obnoxious
发表于 2025-3-23 11:42:56
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PTCA635
发表于 2025-3-23 16:02:37
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擦掉
发表于 2025-3-23 18:20:16
Computer Simulation for Chemical Systems: from Vacuum to Solution,
Vertebra
发表于 2025-3-23 22:23:49
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珊瑚
发表于 2025-3-24 03:38:19
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inspiration
发表于 2025-3-24 08:54:01
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Generalize
发表于 2025-3-24 13:56:26
Understanding Chemical Reactivityhttp://image.papertrans.cn/s/image/871765.jpg
Brain-Waves
发表于 2025-3-24 15:31:15
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Affection
发表于 2025-3-24 19:10:31
Continuum Solvation Models,of their use. Continuum models are the most efficient way to include condensed-phase effects into quantum mechanical calculations, and this is typically accomplished by the using self-consistent reaction field (SCRF) approach for the electrostatic component. This approach does not automatically incl
气候
发表于 2025-3-25 02:49:41
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory,ed. The first model is based upon isolelectronic processes that take place at the nucleus of the host system. The energy variations are derived from the nuclear transition state (ZTS) model. The solvation energy is expressed in terms of the electrostatic potential at the nucleus of a . having a frac