内疚
发表于 2025-3-23 13:47:45
Survey of Equilibrium Critical Phenomena,eir parent free fullerenes. The effect of encapsulation of trimetallic nitrides or noble gas atoms/dimers was shown to have a profound impact on the stability and reactivity of fullerene compounds. It is not just the encapsulation, but in particular the nature of the species that is encapsulated tha
podiatrist
发表于 2025-3-23 17:20:43
Theoretical and Mathematical Physicslosed. Employing the approximate extended Hückel method, this C structure was determined to be a semi-conducting structure. In contrast, a state-of-the-art density functional theory (DFT) optimization reveals the hexagonal structure to be metallic in band profile. It is built upon a bicyclo-2
Connotation
发表于 2025-3-23 18:57:34
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允许
发表于 2025-3-24 00:21:43
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飞行员
发表于 2025-3-24 03:44:32
Theoretical and Mathematical Physicsrtition of π-electrons of Kekuléan polycyclic conjugated hydrocarbons to individual rings, so that by summing π-electrons within individual rings of polycyclic conjugated hydrocarbons one obtains the total number of π-electrons in a molecule. We discuss separately for various types of hydrocarbons t
slipped-disk
发表于 2025-3-24 09:53:49
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油毡
发表于 2025-3-24 14:10:59
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拔出
发表于 2025-3-24 17:19:44
https://doi.org/10.1007/978-3-319-00083-1rtices. The results are used to asses the quality of recently obtained linear upper bounds and square root-type lower bounds. It seems that the fullerenes with large diameters are exceedingly rare. Our results suggest that there is a linear upper bound on the diamater of the fullerenes with isolated
breadth
发表于 2025-3-24 21:47:34
Ekaterina Nagnibeda,Elena Kustovathe physico-chemical process of protonation. Method relies upon the basic tenets of scientific modeling having four . descriptors – the ionization energy (I), the global softness(S), the electronegativity (χ), and the global electrophilicity index (ω) as the components. These akin theoretical descri
Bravado
发表于 2025-3-25 02:29:42
https://doi.org/10.1007/BFb0025374al processes. During the last years, there is a strong interest in developing several molecular shape descriptors. In this chapter we present our attempts for deriving van der Waals (vdW) shape molecular descriptors from two size molecular descriptors – the molecular vdW volume (V.) and the molecula