IR and NMR spectroscopic correlation of enterobactin by DFT
Moreno, M., Zacarias, A., Porzel, A., Velasquez, L., Gonzalez, G., Alegría-Arcos, M., Gonzalez-Nilo, F., Gross, E.K.U.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2018)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2018)
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Journal Article
Experimental and theoretical structural/spectroscopical correlation of enterobactin and catecholamide
Moreno, M., Zacarias, A., Velasquez, L., Gonzalez, G., Alegría-Arcos, M., Gonzalez-Nilo, F., Gross, E.K.U.
Published in Data in brief (01.10.2018)
Published in Data in brief (01.10.2018)
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Journal Article
An efficient algorithm for time propagation as applied to linearized augmented plane wave method
Dewhurst, J.K., Krieger, K., Sharma, S., Gross, E.K.U.
Published in Computer physics communications (01.12.2016)
Published in Computer physics communications (01.12.2016)
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Journal Article
The microscopic origin of spin-orbit mediated spin-flips
Elliott, P., Singh, N., Krieger, K., Gross, E.K.U., Sharma, S., Dewhurst, J.K.
Published in Journal of magnetism and magnetic materials (15.05.2020)
Published in Journal of magnetism and magnetic materials (15.05.2020)
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Journal Article
Electron-nuclear entanglement in the time-dependent molecular wavefunction
Agostini, Federica, Gross, E.K.U., Curchod, Basile F.E.
Published in Computational and theoretical chemistry (01.03.2019)
Published in Computational and theoretical chemistry (01.03.2019)
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Journal Article
Superconducting properties of MgB2 from first principles
Floris, A., Sanna, A., Lüders, M., Profeta, G., Lathiotakis, N.N., Marques, M.A.L., Franchini, C., Gross, E.K.U., Continenza, A., Massidda, S.
Published in Physica. C, Superconductivity (01.06.2007)
Published in Physica. C, Superconductivity (01.06.2007)
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Journal Article
Coherent quantum switch driven by optimized laser pulses
Räsänen, E., Castro, A., Werschnik, J., Rubio, A., Gross, E.K.U.
Published in Physica. E, Low-dimensional systems & nanostructures (01.03.2008)
Published in Physica. E, Low-dimensional systems & nanostructures (01.03.2008)
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Journal Article
Conference Proceeding
Superconducting properties of MgB 2 from first principles
Floris, A., Sanna, A., Lüders, M., Profeta, G., Lathiotakis, N.N., Marques, M.A.L., Franchini, C., Gross, E.K.U., Continenza, A., Massidda, S.
Published in Physica. C, Superconductivity (2007)
Published in Physica. C, Superconductivity (2007)
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Journal Article
Ensemble-Hartree–Fock scheme for excited states. The optimized effective potential method
Gidopoulos, N.I., Papaconstantinou, P.G., Gross, E.K.U.
Published in Physica. B, Condensed matter (01.06.2002)
Published in Physica. B, Condensed matter (01.06.2002)
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Journal Article
Molecular excitation energies from time-dependent density functional theory
Grabo, T., Petersilka, M., Gross, E.K.U.
Published in Journal of molecular structure. Theochem (01.04.2000)
Published in Journal of molecular structure. Theochem (01.04.2000)
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Journal Article