C100 ~ C120巨型富勒烯有利异构体结构的预测。相线判据的应用

M. Yoshida, H. Goto, Y. Hirose, X. Zhao, E. Ōsawa
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Prediction of favorable isomeric structures for the C100 to C120 giant fullerenes. An application of the phason line criteria
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Gibbs paradox of entropy of mixing: experimental facts, its rejection and the theoretical consequences Explicit formulae for integrals of s and p type GTFs Ab initio study on fullerene C44 and its hydrogenates A quantum mechanical force field for amidocyano-pyridinium methylide. Force field transferability to the cycloimmonium ylides A theoretical study using ab initio triple-zeta basis sets of some mesoionic compounds
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