FEIGN
发表于 2025-3-30 08:41:48
Molecular Shape Descriptors: Applications to Structure-Activity Studies,al 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
slipped-disk
发表于 2025-3-30 16:18:51
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Geyser
发表于 2025-3-30 16:35:43
High Pressure Synthesis of the Carbon Allotrope Hexagonite with Carbon Nanotubes in a Diamond Anvileters of the parent hexagonite structure, with the result giving the optimized lattice parameters of . = 0.477 nm and . = 0.412 nm. A calculation is then reported of a simple diffraction pattern of hexagonite from these optimized lattice parameters, with Bragg spacings enumerated for the lattice out
Conscientious
发表于 2025-3-30 23:26:35
Applications of Chemical Graph Theory to Organic Molecules,d with random numbers has been tried to further check the validity of the Topliss-Costello rule. The full combinatorial search algorithm is quite effective in finding the best descriptor, while it highlights the advantages to work with a selected choice of indices belonging to different configuratio
疲惫的老马
发表于 2025-3-31 04:00:52
Structural Approach to Aromaticity and Local Aromaticity in Conjugated Polycyclic Systems,d point to a significant difference in distribution of π-electrons when instead of using all Kekulé valence structures one focuses on the subset of Kekulé valence structures indicated by Clar’s model.
袖章
发表于 2025-3-31 06:19:11
Modeling of the Chemico-Physical Process of Protonation of Carbon Compounds,88 carbon compounds of diverse physico-chemical nature viz, hydrocarbons, alcohols, carbonyls, carboxylic acids, esters, aliphatic amines, aromatic amines, pyridine derivatives and amino acids. A detailed comparative study of theoretically evaluated protonation energies of the above mentioned molecu