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  1. Book ; Thesis: Behandlung des malignen Mediainfarktes

    Neugebauer, Hermann

    2017  

    Author's details vorgelegt von Dr. med. Hermann Neugebauer, M.Sc
    Language German ; English
    Size 100 Seiten, Diagramme, 30 cm
    Publishing place Ulm
    Publishing country Germany
    Document type Book ; Thesis
    Thesis / German Habilitation thesis Habilitationsschrift, Universität Ulm, 2017
    Note Enthält Sonderabdrucke aus Zeitschriften in englischer Sprache
    HBZ-ID HT019757754
    Database Catalogue ZB MED Medicine, Health

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  2. Book ; Thesis: Einfluss einer bakteriellen Translokation auf die Phagozytosefähigkeit peripherer mononukleärer Blutzellen bei portaler Hypertension

    Neugebauer, Hermann

    2007  

    Author's details vorgelegt von Hermann Neugebauer
    Language German
    Size III, 82 Bl., Ill., graph. Darst.
    Publishing country Germany
    Document type Book ; Thesis
    Thesis / German Habilitation thesis Regensburg, Univ., Diss., 2007
    HBZ-ID HT015465689
    Database Catalogue ZB MED Medicine, Health

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  3. Article ; Online: Dispersion-corrected r2SCAN based double-hybrid functionals.

    Wittmann, Lukas / Neugebauer, Hagen / Grimme, Stefan / Bursch, Markus

    The Journal of chemical physics

    2023  Volume 159, Issue 22

    Abstract: The regularized and restored semi-local meta-generalized gradient approximation (meta-GGA) exchange-correlation functional r2SCAN [Furness et al., J. Phys. Chem. Lett. 11, 8208-8215 (2020)] is used to create adiabatic-connection-derived global double- ... ...

    Abstract The regularized and restored semi-local meta-generalized gradient approximation (meta-GGA) exchange-correlation functional r2SCAN [Furness et al., J. Phys. Chem. Lett. 11, 8208-8215 (2020)] is used to create adiabatic-connection-derived global double-hybrid functionals employing spin-opposite-scaled MP2. The 0-DH, CIDH, QIDH, and 0-2 type double-hybrid functionals are assessed as a starting point for further modification. Variants with 50% and 69% Hartree-Fock exchange (HFX) are empirically optimized (Pr2SCAN50 and Pr2SCAN69), and the effect of MP2-regularization (κPr2SCAN50) and range-separated HFX (ωPr2SCAN50) is evaluated. All optimized functionals are combined with the state-of-the-art London dispersion corrections D4 and NL. The resulting functionals are assessed comprehensively for their performance on main-group and metal-organic thermochemistry on 90 different benchmark sets containing 25 800 data points. These include the extensive GMTKN55 database, additional sets for main-group chemistry, and multiple sets for transition-metal complexes, including the ROST61, the MOR41, and the MOBH35 sets. As the main target of this study is the development of a broadly applicable, robust functional with low empiricism, special focus is put on variants with moderate amounts of HFX (50%), which are compared to the so far successful PWPB95-D4 (50% HFX, 20% MP2 correlation) functional. The overall best variant, ωPr2SCAN50-D4, performs well on main-group and metal-organic thermochemistry, followed by Pr2SCAN69-D4 that offers a slight edge for metal-organic thermochemistry and by the low HFX global double-hybrid Pr2SCAN50-D4 that performs robustly across all tested sets. All four optimized functionals, Pr2SCAN69-D4, Pr2SCAN50-D4, κPr2SCAN50-D4, and ωPr2SCAN50-D4, outperform the PWPB95-D4 functional.
    Language English
    Publishing date 2023-12-08
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0174988
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods.

    Neugebauer, Hagen / Bädorf, Benedikt / Ehlert, Sebastian / Hansen, Andreas / Grimme, Stefan

    Journal of computational chemistry

    2023  Volume 44, Issue 27, Page(s) 2120–2129

    Abstract: The semiempirical GFNn-xTB ( ...

    Abstract The semiempirical GFNn-xTB (
    Language English
    Publishing date 2023-07-04
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1479181-X
    ISSN 1096-987X ; 0192-8651
    ISSN (online) 1096-987X
    ISSN 0192-8651
    DOI 10.1002/jcc.27185
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT.

    Neugebauer, Hagen / Pinski, Peter / Grimme, Stefan / Neese, Frank / Bursch, Markus

    Journal of chemical theory and computation

    2023  Volume 19, Issue 21, Page(s) 7695–7703

    Abstract: The unfavorable scaling ( ...

    Abstract The unfavorable scaling (
    Language English
    Publishing date 2023-10-20
    Publishing country United States
    Document type Journal Article
    ISSN 1549-9626
    ISSN (online) 1549-9626
    DOI 10.1021/acs.jctc.3c00896
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Dispersion corrected r

    Bursch, Markus / Neugebauer, Hagen / Ehlert, Sebastian / Grimme, Stefan

    The Journal of chemical physics

    2022  Volume 156, Issue 13, Page(s) 134105

    Abstract: The regularized and restored semilocal meta-generalized gradient approximation (meta-GGA) exchange-correlation functional ... ...

    Abstract The regularized and restored semilocal meta-generalized gradient approximation (meta-GGA) exchange-correlation functional r
    Language English
    Publishing date 2022-04-08
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0086040
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Book: Kinderheilkunde

    Neugebauer, Hannes

    (AZW-Reihe "Pflegewissenschaften" ; 18)

    1995  

    Author's details Hannes Neugebauer. Hrsg. von der TILAK GmbH, Ausbildungszentrum West für Gesundheitsberufe, Innsbruck
    Series title AZW-Reihe "Pflegewissenschaften" ; 18
    Collection
    Keywords Pediatrics / nurses' instruction ; Neugeborenenkrankheit ; Säuglingskrankheit ; Kinderkrankheit
    Subject Säugling ; Neugeborenes
    Language German
    Size 206 S. : Ill., graph. Darst.
    Publisher Berenkamp
    Publishing place Schwaz
    Publishing country Austria
    Document type Book
    HBZ-ID HT006670525
    ISBN 3-85093-518-3 ; 978-3-85093-518-0
    Database Catalogue ZB MED Medicine, Health

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  8. Article: About the ffect of the distillate of corylus avellana.

    NEUGEBAUER, H

    Suddeutsche Apotheker-Zeitung

    2008  Volume 88, Issue 3, Page(s) 65

    Title translation Ueber die Wirkung des Destillates von Corylus avellana.
    MeSH term(s) Corylus
    Language German
    Publishing date 2008-06-20
    Publishing country Germany
    Document type Journal Article
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article: Knowing the ingredients of Echinacea.

    NEUGEBAUER, H

    Die Pharmazie

    2007  Volume 4, Issue 3, Page(s) 137–140

    Title translation Zur Kenntnis der Inhaltsstoffe von Echinacea.
    MeSH term(s) Plants
    Language German
    Publishing date 2007-12-15
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 208793-5
    ISSN 0031-7144
    ISSN 0031-7144
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: About the cardio-active fabric of Crataegus.

    NEUGEBAUER, H

    Die Pharmazie

    2007  Volume 4, Issue 1, Page(s) 29

    Title translation Ueber den herziwirksamen Stoff von Crataegus.
    MeSH term(s) Crataegus ; Plant Extracts
    Chemical Substances Plant Extracts ; crataegus extract (6OM09RPY36)
    Language German
    Publishing date 2007-12-15
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 208793-5
    ISSN 0031-7144
    ISSN 0031-7144
    Database MEDical Literature Analysis and Retrieval System OnLINE

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