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1462 Publications
2021 | Journal Article | LibreCat-ID: 45000
Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study
M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A.K. Dutta, J. Chem. Theory Comput. 17 (1) (2021) 105–116.
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| DOI
M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A.K. Dutta, J. Chem. Theory Comput. 17 (1) (2021) 105–116.
2021 | Journal Article | LibreCat-ID: 45002
Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization
A. Triolo, F.L. Celso, M. Brehm, V.D. Lisio, O. Russina, J. Mol. Liq. 331 (2021) 115750.
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| DOI
A. Triolo, F.L. Celso, M. Brehm, V.D. Lisio, O. Russina, J. Mol. Liq. 331 (2021) 115750.
2021 | Journal Article | LibreCat-ID: 24566 | 
Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
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K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
2021 | Conference Paper | LibreCat-ID: 33545
Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 609–612.
LibreCat
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 609–612.
2021 | Book Chapter | LibreCat-ID: 29936
Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing
A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.
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A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.
2021 | Journal Article | LibreCat-ID: 41007
Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes
P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun, A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner, M. Bauer, Chemical Communications 57 (2021) 6640–6643.
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| DOI
P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun, A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner, M. Bauer, Chemical Communications 57 (2021) 6640–6643.
2021 | Journal Article | LibreCat-ID: 59620
Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery
T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, D. Kuckling, ACS Applied Polymer Materials 3 (2021) 3831–3842.
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T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, D. Kuckling, ACS Applied Polymer Materials 3 (2021) 3831–3842.
2021 | Journal Article | LibreCat-ID: 22859
Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films
R. Grothe, J.A. Striewe, D. Meinderink, T. Tröster, G. Grundmeier, The Journal of Adhesion (2021).
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| DOI
R. Grothe, J.A. Striewe, D. Meinderink, T. Tröster, G. Grundmeier, The Journal of Adhesion (2021).
2021 | Journal Article | LibreCat-ID: 37947
Organische Chemie
J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.
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| DOI
J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.
2021 | Journal Article | LibreCat-ID: 37950
Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO2 with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts
Y. Hu, Z. Wei, A. Frey, C. Kubis, C. Ren, A. Spannenberg, H. Jiao, T. Werner, ChemSusChem 14 (2021) 363–372.
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Y. Hu, Z. Wei, A. Frey, C. Kubis, C. Ren, A. Spannenberg, H. Jiao, T. Werner, ChemSusChem 14 (2021) 363–372.
2021 | Journal Article | LibreCat-ID: 37946
Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones
T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis 53 (2021) 3545–3554.
LibreCat
| DOI
T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis 53 (2021) 3545–3554.
2021 | Journal Article | LibreCat-ID: 37944
Indirect reduction of CO2 and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes
X. Liu, T. Werner, Chemical Science 12 (2021) 10590–10597.
LibreCat
| DOI
X. Liu, T. Werner, Chemical Science 12 (2021) 10590–10597.
2021 | Journal Article | LibreCat-ID: 37945
Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction
J. Tönjes, L. Longwitz, T. Werner, Green Chemistry 23 (2021) 4852–4857.
LibreCat
| DOI
J. Tönjes, L. Longwitz, T. Werner, Green Chemistry 23 (2021) 4852–4857.
2021 | Journal Article | LibreCat-ID: 62098
Stereoselective Synthesis of acis-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research & Development 25 (2021) 89–97.
LibreCat
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V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research & Development 25 (2021) 89–97.
2021 | Journal Article | LibreCat-ID: 62099
Stereoselective Synthesis of acis-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research & Development 25 (2021) 89–97.
LibreCat
| DOI
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research & Development 25 (2021) 89–97.
2021 | Journal Article | LibreCat-ID: 37943
AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate
M.A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, T. Werner, Ecotoxicology and Environmental Safety 225 (2021).
LibreCat
| DOI
M.A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, T. Werner, Ecotoxicology and Environmental Safety 225 (2021).
2021 | Journal Article | LibreCat-ID: 37948
Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides
X. Liu, T. Werner, Advanced Synthesis and Catalysis 363 (2021) 1096–1104.
LibreCat
| DOI
X. Liu, T. Werner, Advanced Synthesis and Catalysis 363 (2021) 1096–1104.
2021 | Journal Article | LibreCat-ID: 62803 |
Design Strategies for Electrocatalysts from an Electrochemist’s Perspective
J. Linnemann, K. Kanokkanchana, K. Tschulik, ACS Catalysis 11 (2021) 5318–5346.
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J. Linnemann, K. Kanokkanchana, K. Tschulik, ACS Catalysis 11 (2021) 5318–5346.
2021 | Journal Article | LibreCat-ID: 62806 |
Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular‐Level Insights into the Electrical Double Layer
M. Azimzadeh Sani, N.G. Pavlopoulos, S. Pezzotti, A. Serva, P. Cignoni, J. Linnemann, M. Salanne, M. Gaigeot, K. Tschulik, Angewandte Chemie International Edition 61 (2021).
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M. Azimzadeh Sani, N.G. Pavlopoulos, S. Pezzotti, A. Serva, P. Cignoni, J. Linnemann, M. Salanne, M. Gaigeot, K. Tschulik, Angewandte Chemie International Edition 61 (2021).
2021 | Journal Article | LibreCat-ID: 62805 |
Single Co3O4 Nanocubes Electrocatalyzing the Oxygen Evolution Reaction: Nano-Impact Insights into Intrinsic Activity and Support Effects
Z. Liu, M. Corva, H.M.A. Amin, N. Blanc, J. Linnemann, K. Tschulik, International Journal of Molecular Sciences 22 (2021).
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Z. Liu, M. Corva, H.M.A. Amin, N. Blanc, J. Linnemann, K. Tschulik, International Journal of Molecular Sciences 22 (2021).