Density functional calculations of molecular polarizabilities and hyperpolarizabilities von Calaminici, P., Jug, K., Köster, A. M.

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Anionic and cationic substitution in ZnO von von Wenckstern, H., Schmidt, H., Brandt, M., Lajn, A., Pickenhain, R., Lorenz, M., Grundmann, M., Hofmann, D.M., Polity, A., Meyer, B.K., Saal, H., Binnewies, M., Börger, A., Becker, K.-D., Tikhomirov, V.A., Jug, K.

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Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals von Reis, H., Papadopoulos, M.G., Calaminici, P., Jug, K., Köster, A.M.

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Mathematik in der Chemie von Jug, K

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Theory and range of modern semiempirical molecular orbital methods von Bredow, Thomas, Jug, Karl

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Structure and stability of small copper clusters von Jug, Karl, Zimmermann, Bernd, Calaminici, Patrizia, Köster, Andreas M.

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Implementation of the Cyclic Cluster Model in Hartree-Fock LCAO Calculations of Crystalline Systems von Bredow, T., Evarestov, R.A., Jug, K.

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Quantitative Measures of Aromaticity for Mono-, Bi-, and Tricyclic Penta- and Hexaatomic Heteroaromatic Ring Systems and Their Interrelationships von Katritzky, Alan R, Jug, Karl, Oniciu, Daniela C

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Electronic and magnetic structure of ScMnO3 von Bredow, Thomas, Jug, Karl, Evarestov, Robert A.

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Consistent modifications of SINDO1: I. Approximations and parameters von Ahlswede, Bernd, Jug, Karl

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Models for the treatment of crystalline solids and surfaces von Jug, Karl, Bredow, Thomas

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Adsorption of small molecules on the anatase(1 0 0) surface von Homann, Thorsten, Bredow, Thomas, Jug, Karl

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Consistent modifications of SINDO1: II. Applications to first- and second-row elements von Ahlswede, Bernd, Jug, Karl

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MSINDO parameterization for third-row transition metals von Bredow, Thomas, Geudtner, Gerald, Jug, Karl

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Connection between slab and cluster models for crystalline surfaces von Evarestov, R. A., Bredow, Th, Jug, K.

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Miscibility of Zinc Chalcogenides von Janetzko, Florian, Jug, Karl

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Aromaticity as a Quantitative Concept. 7. Aromaticity Reaffirmed as a Multidimensional Characteristic von Katritzky, Alan R, Karelson, Mati, Sild, Sulev, Krygowski, T. Marek, Jug, Karl

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Molecular dynamics investigation of oxygen vacancy diffusion in rutile von JUG, Karl, NAIR, Nisanth N, BREDOW, Thomas

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σ−π Energy Separation in Modern Electronic Theory for Ground States of Conjugated Systems von Jug, Karl, Hiberty, Philippe C, Shaik, Sason

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Relaxed Fukui function indices and their application to chemical reactivity problems von Korchowiec, J., Gerwens, H., Jug, K.

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