Chien-Pin Chou

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The Zhang–Zhang(ZZ) polynomials (aka Clar covering polynomial) for several subclasses of catacondensed and pericondensed benzenoid systems have been computed using an automatic computer code developed in our group and described in [C.-P. Chou and H.A. expressions for several series of catacondensed benzenoids and for the prolate rectangular pericondensed(More)
Closed-form, general formulas for the Zhang-Zhang (ZZ) polynomials for two important classes of benzenoid structures, chevrons ‫݄ܥ‬ሺ݇ǡ ݉ǡ ݊ሻ and generalized chevrons ‫݄ܥ‬ሺ݇ǡ ݉ǡ ݊ ଵ ǡ ݊ ଶ ሻ, are formally derived. The derivations rely on a new and important theorem, which states that the ZZ polynomial of two fused parallelograms can be represented as the(More)
We employ a graphical proof-oriented tool, ZZDecomposer, to discover formal derivations of Zhang-Zhang (ZZ) polynomials for various families and subfamilies of benzenoid structures including tripods, zigzag-edge coronoids fused with a starphene, oblate rectangles ܱ‫ݎ‬ሺ݉ǡ ʹሻ, decompositions of the analyzed structures. The decompositions provide appropriate(More)
Variational Transition State Theory with Multidimensional Tunneling (VTST/MT) has been successfully used for calculating rate constants of reactions in gas and condensed phases. The current software implementation of VTST/MT is, however, based on the assumption of a fast, serial evaluation of the energetic information of a given molecular structure. We(More)
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