Performance of Hybrid DFT Compared to MP2 Methods in Calculating Nonlinear Optical Properties of Divinylpyrene Derivative Molecules von Zouaoui-Rabah, M, Sekkal-Rahal, M, Djilani-Kobibi, F, Elhorri, A. M, Springborg, M

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A highest stable cluster Au58 (C1) re-optimized via a density-functional tight-binding (DFTB) approach von Vishwanathan, K, Springborg, M

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Retracted Article: A highest stable cluster Au 58 ( C 1 ) re-optimized via a density-functional tight-binding (DFTB) approach von Vishwanathan, K, Springborg, M

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Retracted Article: A highest stable cluster Au58 (C 1) re-optimized via a density-functional tight-binding (DFTB) approach von Vishwanathan, K, Springborg, M

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Global Optimization of Li and Na Clusters: Application of a Modified Embedded Atom Method von Huwig, K., Grigoryan, V. G., Springborg, M.

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Global structure optimization study on Au2-20 von DONG, Y, SPRINGBORG, M

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Electron leakage and double-exchange ferromagnetism at the interface between a metal and an antiferromagnetic insulator: CaRuO3/CaMnO3 von Nanda, B R K, Satpathy, S, Springborg, M S

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Quantum mechanics study on the nonlinear optical responses of a series of 4-hydroxy, 4'-cyanoazobenzene dimers von Derrar, S N, Sekkal-Rahal, M, Springborg, M

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Theoretical study of the NLO responses of some natural and unnatural amino acids used as probe molecules von Derrar, S. N., Sekkal-Rahal, M., Derreumaux, P., Springborg, M.

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Electronic structure and dimerization of a single monatomic gold wire von De Maria, L., Springborg, M.

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Electronic properties of Ge-Si nanoparticles von ASADUZZAMAN, A. Md, SPRINGBORG, M

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Relaxed energetic maps of κ-carrabiose: A DFT study von Yousfi, N, Sekkal-Rahal, M, Sayede, A, Springborg, M

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Work function studies of rare-gas/noble metal adsorption systems using a Kelvin probe von Hückstädt, C., Schmidt, S., Hüfner, S., Forster, F., Reinert, F., Springborg, M.

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Structural and Electronic Properties of Cadmium Sulfide Clusters von Joswig, Jan-Ole, Springborg, Michael, Seifert, Gotthard

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High-resolution photoemission on Ag/Au(111) : Spin-orbit splitting and electronic localization of the surface state von POPOVIC, D, REINERT, F, HÜFNER, S, GRIGORYAN, V. G, SPRINGBORG, M, CERCELLIER, H, FAGOT-REVURAT, Y, KIERREN, B, MALTERRE, D

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Theoretical investigation of the hydrogenation induced atomic rearrangements in palladium rich intermetallic compounds MPd3 (M = Mg, In, Tl) von Kunkel, N., Sander, J., Louis, N., Pang, Y., Dejon, L. M., Wagener, F., Zang, Y. N., Sayede, A., Bauer, M., Springborg, M., Kohlmann, H.

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The Shockley-type surface state on Ar covered Au(1 1 1): High resolution photoemission results and the description by slab-layer DFT calculations von Forster, F., Bendounan, A., Reinert, F., Grigoryan, V.G., Springborg, M.

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Theoretical Study of Substituted Polyacetylenes von Springborg, M.

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Structure and energetics of nickel, copper, and gold clusters von GRIGORYAN, V. G, ALAMANOVA, D, SPRINGBORG, M

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Theoretical study on the structural properties of alkali-metal heteroclusters von Hristova, E., Grigoryan, V. G., Springborg, M.

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