Abstract
The elementary superposition theorems are presented for enumerating chemical compounds that contain achiral and chiral ligands. Subduced cycle indices (SCI-CF), partial cycle indices (PCI-CF), and cycle indices (CI-CF) with chirality fittingness are defined by starting from unit subduced cycle indices with chirality fittingness (USCI-CF). All of these indices afford generating functions that are proved to be applicable to combinatorial enumeration. In addition, the concept of elementary superposition with and without chirality fittingness is proposed to provide the elementary superposition theorems. These theorems provide us with a new methodology of enumerating compounds, in which the numbers of isomers are obtained without relying on generating functions and are itemized with respect to molecular formulas (weights) and symmetries. The ⊛ operation is defined on the basis of the elementary superposition. Thereby, we derive superposition theorems concerning the PCI-CFs and the CI-CFs. These are applicable to combinatorial enumeration.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call