Résultat(s) 1 - 16 résultats de 16 pour la requête 'Engels, Bernd', Temps de recherche: 2,69s Affiner les résultats
  1. 1
    Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligand
    Autres auteurs: “...Engels, Bernd...”

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  2. 2
    Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)
    Autres auteurs: “...Engels, Bernd...”

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  3. 3
    A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates
    Autres auteurs: “...Engels, Bernd...”

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  4. 4
    A theoretical description of charge reorganization energies in molecular organic P-type semiconductors
    Autres auteurs: “...Engels, Bernd...”

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  5. 5
    Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials
    Autres auteurs: “...Engels, Bernd...”

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  6. 6
    Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap
    Autres auteurs: “...Engels, Bernd...”

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  7. 7
    CAST a new program package for the accurate characterization of large and flexible molecular systems
    Autres auteurs: “...Engels, Bernd...”

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  8. 8
    PathOpt--a global transition state search approach outline of algorithm
    Autres auteurs: “...Engels, Bernd...”

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  9. 9
    Comparison of the electronic structure of different perylene-based dye-aggregates
    Autres auteurs: “...Engels, Bernd...”

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  10. 10
    Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates
    Autres auteurs: “...Engels, Bernd...”

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  11. 11
    Efficiency of tabu-search-based conformational search algorithms
    Autres auteurs: “...Engels, Bernd...”

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  12. 12
    Predicting the tautomeric equilibrium of acetylacetone in solution. I. The right answer for the wrong reason?
    Autres auteurs: “...Engels, Bernd...”

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  13. 13
    New Tabu Search based global optimization methods outline of algorithms and study of efficiency
    Autres auteurs: “...Engels, Bernd...”
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  14. 14
    Conformational analysis of arginine in gas phase--a strategy for scanning the potential energy surface effectively
    Autres auteurs: “...Engels, Bernd...”
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  15. 15
    Gradient tabu search
    Autres auteurs: “...Engels, Bernd...”
    Article

  16. 16
    DIESEL-MP2 a new program to perform large-scale multireference-MP2 computations
    Autres auteurs: “...Engels, Bernd...”
    Article

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