Absorption spectra of model single chains of conducting polyaniline

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First-Principles Study of the Lithium Interaction with Polycyclic Aromatic Hydrocarbons

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Identification and computational characterization of isomers with cis and trans amide bonds in folate and its analogues

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L10 Stacked Binaries as Candidates for Hard-Magnets: FePt, MnAl and MnGa

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Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions

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Molecular dynamics approach to water structure of H(II) mesophase of monoolein

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Nature of The Magnetic Interaction in Organic Radical Crystals. I. Alternant Systems

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Selectivity Descriptors for the Michael Addition Reaction as Obtained from Density Functional Based Approaches

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Solvent polarity and dopant effect on the electronic structure of the emeraldine salt

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Unit Cell Structure of Water-Filled Monoolein into Inverted Hexagonal (HII) Mesophase Modeled by Molecular Dynamics

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Unit cell structure of water-filled monoolein in inverted hexagonal mesophase in the presence of incorporated tricaprylin and entrapped lysozyme.

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