TBMaLT, a flexible toolkit for combining tight-binding and machine learning
McSloy, A., Fan, G., Sun, W., Hölzer, C., Friede, M., Ehlert, S., Schütte, N.-E., Grimme, S., Frauenheim, T., Aradi, B.
Published in The Journal of chemical physics (21.01.2023)
Published in The Journal of chemical physics (21.01.2023)
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Journal Article
N‐Methylimidazolidin‐4‐one organocatalysts: gas‐phase fragmentations of radical cations by experiment and theory
Engeser, M., Mundt, C., Bauer, C., Grimme, S.
Published in Journal of mass spectrometry. (01.07.2017)
Published in Journal of mass spectrometry. (01.07.2017)
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Journal Article
Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes
Musina, E I, Shamsieva, A V, Strelnik, I D, Gerasimova, T P, Krivolapov, D B, Kolesnikov, I E, Grachova, E V, Tunik, S P, Bannwarth, C, Grimme, S, Katsyuba, S A, Karasik, A A, Sinyashin, O G
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2016)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2016)
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Journal Article
Synthesis of a monomolecular anionic FLP complex
Kyri, A W, Kunzmann, R, Schnakenburg, G, Qu, Z-W, Grimme, S, Streubel, R
Published in Chemical communications (Cambridge, England) (01.01.2016)
Published in Chemical communications (Cambridge, England) (01.01.2016)
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Journal Article
comparative quantum chemical study of the ruthenium catalyzed olefin metathesis
Piacenza, M, Hyla-Kryspin, I, Grimme, S
Published in Journal of computational chemistry (15.11.2007)
Published in Journal of computational chemistry (15.11.2007)
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Journal Article
The electronic structure of TEMPO, its cation and anion
Kubala, D., Regeta, K., Janečková, R., Fedor, J., Grimme, S., Hansen, A., Nesvadba, P., Allan, M.
Published in Molecular physics (01.08.2013)
Published in Molecular physics (01.08.2013)
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Journal Article
Deficiencies in the essential Smp3 mannosyltransferase block glycosylphosphatidylinositol assembly and lead to defects in growth and cell wall biogenesis in Candida albicans
Grimme, Stephen J, Colussi, Paul A, Taron, Christopher H, Orlean, Peter
Published in Microbiology (Society for General Microbiology) (01.10.2004)
Published in Microbiology (Society for General Microbiology) (01.10.2004)
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Journal Article
Dissociative electron attachment and electron energy-loss spectra of phenyl azide
Živanov, S, Ibanescu, B C, Paech, M, Poffet, M, Baettig, P, Sergenton, A-C, Grimme, S, Allan, M
Published in Journal of physics. B, Atomic, molecular, and optical physics (14.01.2007)
Published in Journal of physics. B, Atomic, molecular, and optical physics (14.01.2007)
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