A ring-shaped molecule may possess a cavity because of its three-dimensional structure. This cavity can accommodate a guest molecule if its size (configuration) is adequate for the cavity, while it ...
A systematic and comprehensive semiempirical, Hartree-Fock (HF) ab initio, and B3LYP density functional theory (DFT) study was conducted on the relative thermodynamic properties of various linear and ...
PAUL VON RAGUÉ SCHLEYER says the idea hit him while teaching a graduate class on the structure and energy of organic molecules: The mechanism that irrefutably stabilizes branched alkanes should ...
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