Properties and Relationships of Conjugated Polyenes Having a Reciprocal Eigenvalue Spectrum – Dendralene and Radialene Hydrocarbons

While reviewing molecules corresponding to reciprocal graphs (graphs with all reciprocal eigenvalue pairs), new examples of reciprocal graphs are presented. Essential features of cross-conjugation are delineated, and how this phenomenon is important in the design of conducting and ferromagnetic polymers is discussed. Some recursion equations for determining characteristic polynomials of comb and ladder graphs are presented

Enumerating molecules.

This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz