Titlebook: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology; Matti Hotokka,Erkki J. Brändas,Gerardo Delgado-Bar Confer

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Recent Advances in Pattern Classification,e to the choice of basis set and parameters of the stabilization potential. The conclusion on the suitability of this method for calculating resonance energies and widths is based on the analysis of our computational results.

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https://doi.org/10.1007/978-3-642-24049-2calculations. An analysis of quantum and semi-classical dynamics is presented in order to determine the limit of validity of such methods. Accurate cross sections and rate constants are determined which provide important data for space chemistry models. Additionally, such theoretical approaches give

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Elements of the theory of fuzzy sets,≤18) clusters with up to two endohedral H. molecules which undergo in-cage dissociation. The systems structures and stabilities are discussed, including energy barriers for hydrogen exit from the cage. The origin of the observed metastability, allowing for a lower-temperature release of H., is explo

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Studies in Fuzziness and Soft Computingg at oxygen site, because no oxygen vacancy is then formed. From our density functional theory (DFT) calculations for carbon anion-doped cluster models, it was found that carbon anion-doping enhances the visible-light photocatalytic activity, realizing a stable crystal structure. Finally, we conclud

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Atlantis Computational Intelligence Systemsding. The calculated activation energy for proton conduction was much larger than the experimental one. It is because O–H covalent bonding formation affects the low-frequency real part in AC impedance spectra. The higher proton conductivity in wet condition is derived from “proton pumping effect”. W