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 ...

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 ...

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

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 ...

2-Methylbutane, commonly known as isopentane, is a branched-chain, saturated hydrocarbon. It has two structural isomers, pentane and neopentane. Branched alkanes constitute the largest group of ...

The charge-transfer complex formation because of benzoquinone conjugation causes color change upon alkane vapor adsorption. (A) Color change due to methanol gas adsorption and the structure (no ...