Journals

‘Research is to see what everybody else has seen, and to think what nobody else has thought.’

Albert Szent-Gyorgyi

58.*
Jan Pecak, Radu A. Talmazan, Dennis Svatunek, Karl Kirchner, Maren Podewitz*
“Is Mn(I) more promising than Fe(II) – A comparison of Mn vs. Fe complexes for olefin metathesis”
Organometallics, (2024), accepted. DOI: 10.1021/acs.organomet.3c00398.
57.*
Benjamin Wittwer, Daniel Leitner, Florian R. Neururer, Roland Schoch, Michael Seidl, Jan Pecak, Maren Podewitz*, Stephan Hohloch*
“Scrutinizing the Redox Chemistry of Group 10 Complexes Supported by a Redox-Active bis-Phenolate Mesoionic Carbene”
Polyhedron, 250 (2024), 116786. DOI: 10.1016/j.poly2023.116786.
56.*
Radu A. Talmazan and Maren Podewitz*
“PyConSolv A Python Package for Conformer Generation of (Metal-Containing) Systems in Explicit Solvents”
Journal of Chemical Information and Modeling, 63 (2023), 5400-5407. DOI: 10.1021/acs.jcim.3c00798.
55.*
Daniel Himmelbauer, Radu Talmazan, Stefan Weber, Jan Pecak, Antonio Thun-Hohenstein, Maxine-Sophie Geissler, Lukas Pachmann, Marc Pignitter, Maren Podewitz*, Karl Kirchner*.
“No Transition Metals Required–Oxygen Promoted Synthesis of Imines from Primary Alcohols and Amines under Ambient Conditions”
Chemistry – A European Journal, (2023), e202300094. DOI: 10.1002/chem.202300094.

54.*

Daniel Menia, Michael Pittracher, Holger Kopacka, Klaus Wurst, Florian Neururer, Daniel Leitner, Stephan Hohloch, Maren Podewitz*, Benno Bildstein*.
“The Curious Case of Cobaltocenium Carbaldehyde”
Organometallics, 42 (2023), 377-383. DOI: 10.1021/acs.organomet.2c00613.

53.

Raheleh Pourkaveh, Maren Podewitz, Michael Schnürch.
“A Fujiwara–Moritani‐Type Alkenylation Using a Traceless Directing Group Strategy: A Rare Example of C‐C Bond Formation towards the C2‐Carbon of Terminal Alkenes ”
European Journal of Organic Chemistry, (2023), e202201179. DOI: 10.1002/ejoc.202201179.

52.*

Armando Berlanga-Vázquez, Radu A. Talmazan, Carlos A. Reyes-Mata, Edmundo G. Percástegui, Marcos Flores-Alamo, Maren Podewitz*, Ivan Castillo*.
“Conformational effects of regioisomeric substitution on the catalytic activity of copper/calix[8]arene C–S coupling”
European Journal of Inorganic Chemistry, (2023), e202200596. DOI: 10.1002/ejic.202200596.

51.

Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Maren Podewitz, Fabian Dielmann.
“Oxidative Fluorination of Selenium and Tellurium Compounds using a Thermally Stable Phosphonium SF5– Salt Accessible from SF6”
Angewandte Chemie International Edition, 61 (2022), e202209067. DOI: 10.1002/anie.202209067.

50.*

Maren Podewitz*.
“Towards Predictive Computational Catalysis – A Case Study of Olefin Metathesis with Mo Imido Alkylidene N-Heterocyclic Carbene Catalysts”
SPR Chemical Modelling, 17 (2022), 1-23. (Eds. Hilke Bahmann, Jean Christoph Tremblay) DOI: 10.1039/9781839169342-00001.

49.*

Radu A. Talmazan,# J. Refugio Monroy,# Federico del Río-Portilla, Ivan Castillo,* Maren Podewitz*.
“Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst”
ChemCatChem, 14 (2022), e202200662. DOI: 10.1002/cctc.202200662.
48.
Dennis F. Dinu, Pit Bartl, Patrick K. Quoika, Maren Podewitz, Klaus R. Liedl, Hinrich Grothe, Thomas Loerting.
“Increase of radiative forcing through mid-IR absorption by stable CO2 dimers?”
Journal of Physical Chemistry A, 126 (2022), 2966–2975. DOI: 10.1021/acs.jpca.2c00857.

47.*

Maren Podewitz*
“Trendbericht Theoretische Chemie: Mit dem Computer zu effizienteren Katalysatoren”
Nachrichten der Chemie, 69 (2021), 60-62. DOI: 110.1002/nadc.20214119408.

46.

Stefan Weber, Manuel Glavicl, Berthold Stöge, Ernst Pittenauer, Maren Podewitz, Luis Veiros, Karl Kirchner.
“Manganese-Catalyzed Dehydrogenative Silylation of Alkenes Following Two Parallel Inner-Sphere Pathways”
Journal of the American Chemical Society, 43 (2021), 17825-17832. DOI: 10.1021/jacs.1c09175.
45.*
Reinhard Basse, Stefan Vanicek, Thomas Höfer, Holger Kopacka, Klaus Wurst, Thomas Müller, Heidi A. Schwartz, Selina Olthof, Larissa Casper, Moritz Nau, Rainer Winter*, Maren Podewitz*, Benno Bildstein*
“Cationic cycloheptatrienyl cyclopentadienyl manganese sandwich complexes: tromancenium explored with high-power LED photosynthesis”
Organometallics, 40 (2021), 2736-2749. DOI: 10.1021/acs.organomet.1c00376.
44.*
Maren Podewitz*, Suman Sen, Michael R. Buchmeiser*
“On the Origin of E-Selectivity in the Ring-Opening Metathesis Polymerization with Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes”
Organometallics, 40 (2021), 2478-2488. DOI: 10.1021/acs.organomet.1c00229.
43.*
Franz-Lucas Haut, Niklas J. Feichtinger, Immanuel Plangger, Lukas A. Wein, Mira Müller, Tim-Niclas Streit, Klaus Wurst, Maren Podewitz*, Thomas Magauer*
“Synthesis of Pyrroles via Consecutive 6π-Electrocyclization/Ring-Contraction of Sulfilimines”
Journal of the American Chemical Society, 143 (2021), 9002-9008. DOI: 10.1021/jacs.1c04835.
42.
Patrick K. Quoika, Monica L. Fernandéz-Quintero, Maren Podewitz, Florian Hofer, Klaus R. Liedl
“Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil–Globule Transition by Markov States”
Journal of Physical Chemistry B, 125 (2021), 4898-4909. DOI: 10.1021/acs.jpcb.1c01946.
41.*
Chengjie Li, Maren Podewitz*, Bernhard Kräutler*
“A Blue Zinc‐Complex of a Dioxobilin‐Type Pink Chlorophyll Catabolite Exhibiting Bright Chelation‐Enhanced Red Fluorescence”
European Journal of Inorganic Chemistry, 20 (2021), 1904-1920. DOI: 10.1002/ejic.202100206.

40.*

Miguel Steiner, Tanja Holzknecht, Michael Schauperl, Maren Podewitz*
“Quantum Chemical Microsolvation by Automated Water Placement”
Molecules, 26 (2021), 1793. DOI: 10.3390/molecules26061793.
39.*
Franz-Lucas Haut, Christoph Habiger, Lukas Anton Wein, Klaus Wurst, Maren Podewitz*, Thomas Magauer*
“Rapid Assembly of Tetrasubstituted Furans via Pummerer-type Rearrangement”
Journal of the Americal Chemical Society, 143 (2021), 1216–1223. DOI: 10.1021/jacs.0c12194.
38.*
Leonard C. Pasqualini, Oliver Janka, Selina Olthof, Hubert Huppertz, Klaus R. Liedl, Rainer Pöttgen, Maren Podewitz*, Jörn Bruns*
“Ni[B2(SO4)4] and Co[B2(SO4)4]: Unveiling systematic trends in phyllosilicate borosulfates”
Chemistry – A European Journal, 26 (2020), 17405-17415. DOI: 10.1002/chem.202002221.
37.
Dennis F. Dinu, Maren Podewitz, Hinrich Grothe, Thomas Loerting, Klaus R. Liedl
“On the Synergy of Matrix-Isolation Infrared Spectroscopy and Vibrational Configuration Interaction Computations”
Theoretical Chemistry Accounts, 139 (2020), 174. DOI: 10.1007/s00214-020-02682-0.
36.
Christoph Kieninger, Klaus Wurst, Maren Podewitz, Evelyne Deery, Andrew D Lawrence, Klaus R Liedl, Martin J Warren, Bernhard Kräutler
“Replacement of the Cobalt-Center of Vitamin B12 by Nickel – Nibalamin and Related Ni(II)-Corrins Prepared from Hydrogenobalamin and Other Metal-Free B12-Ligands”
Angewandte Chemie International Edition, 132 (2020), 20304-203011. DOI: 10.1002/anie.202008407.
35.
Patrick K. Quoika, Maren Podewitz, Yin Wang, Anna S. Kamenik, Johannes R. Loeffler, Klaus. R. Liedl
“Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations”
Journal of Physical Chemistry B, 124 (2020), 9745-9756. DOI: 10.1021/acs.jpcb.0c07232.
34.*
Sina K. Goetzfried, Caroline Gallati, Monika Cziferszsky, Radu A. Talmazan, Klaus Wurst, Klaus R. Liedl, Maren Podewitz*, Ronald Gust*
“N-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and their Oxidation to Gold(III) in Aqueous Solutions”
Inorganic Chemistry, 59 (2020), 15312-15232. DOI: 10.1021/acs.inorgchem.0c02298.
33.
Matthias Schmid, Kevin Rafael Sokol, Lukas Anton Wein, Sofia Torres Venegas, Christina Meisenbichler, Klaus Wurst, Maren Podewitz, Thomas Magauer
“Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides”
Organic Letters, 22 (2020), 6526-6531. DOI: 10.1021/acs.orglett.0c02296.
32.
Dennis F. Dinu, Maren Podewitz, Hinrich Grothe, Thomas Loerting, Klaus R. Liedl
“Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane”
Physical Chemistry Chemical Physics, 22 (2020), 17932-17947. DOI: 10.1039/d0cp02121k.
31.*
Radu A. Talmazan, Klaus. R. Liedl, Bernhard Kräutler, Maren Podewitz*
“The intermolecular anthracene-transfer in a regiospecific antipodal C60 difunctionalization”
Organic & Biomolecular Chemistry, 18 (2020), 4090-4103. DOI: 10.1039/d0ob00520g.

30.

Eva-Maria Köck, Jürgen Bernard, Maren Podewitz, Dennis F. Dinu, Roland G. Huber, Klaus R. Liedl, Hinrich Grothe, Erminald Bertel, Robert Schlögl, Thomas Loerting
“Alpha carbonic acid revisited Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase”
Chemistry – A European Journal, 26 (2020), 285-305. DOI: 10.1002/chem.201904142.

29.

Dennis Dinu, Benjamin Ziegler, Maren Podewitz, Klaus R. Liedl, Thomas Loerting, Hinrich Grothe, Guntram Rauhut
“The Interplay of VSCF/VCI calculations and Matrix-Isolation IR Spectroscopy – Mid Infrared Spectrum of CH3CH2F and CD3CD2F”
Journal of Molecular Spectroscopy, 367 (2020), 111224. DOI: 10.1016/j.jms.2019.111224.

28.

Elisabeth Selb, Lisa Declara, Lkhamsuren Bayarjargal, Maren Podewitz, Martina Tribus, Gunther Heymann
“Crystal Structure and Properties of a UV-transparent High-Pressure Polymorph of Mg3TeO6 with Second Harmonic Generation Response”
European Journal of Inorganic Chemistry, 43 (2019), 4668-4676. DOI: 10.1002/ejic.201900998.

27.

 

Maren Podewitz+, Yin Wang+, Patrick K. Quoika, Johannes R. Loeffler, Michael Schauperl, Klaus R. Liedl
“Coil-Globule Transition Thermodynamics of Poly(N-isopropylacrylamide)”
Journal of Physical Chemistry B, 123 (2019), 8838-8847. DOI: 10.1021/acs.jpcb.9b06125. +equally contributed.

26.

Dennis F. Dinu, Maren Podewitz, Hinrich Grothe, Klaus R. Liedl, Thomas Loerting
“Toward Elimination of Discrepancies Between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices”
Journal of Physical Chemistry A, 123 (2019), 8234- 8242. DOI: 10.1021/acs.jpca.9b07221.
25.
Christoph Kieninger+, Joseph A. Baker+, Maren Podewitz+, Klaus Wurst, Stefan Jokusch, Andrew D. Lawrence, Evelyne Deery, Karl Gruber, Klaus R. Liedl, Martin J. Warren, Bernhard Kräutler
“Zinc Substitution of Cobalt in Vitamin B12: Zincobyric acid and Zincobalamin as Luminescent Structural B12-Mimics”
Angewandte Chemie International Edition, 58 (2019), 14568–14572. DOI: 10.1002/anie.201908428. +equally contributed.
24.
Christoph Kieninger+, Evelyne Deery+, Andrew D. Lawrence+, Maren Podewitz+, Klaus Wurst, Emi Nemoto-Smith, Florian J. Widner, Joseph A. Baker, Steffen Jockusch, Christoph R. Kreutz, Klaus R. Liedl, Karl Gruber, Martin J. Warren, Bernhard Kräutler
“The Hydrogenobyric Acid Structure Reveals the Corrin Ligand as a Molecular Entatic State Module Evolved to Enhance Catalysis by B12 Cofactors”
Angewandte Chemie International Edition, 58 (2019), 10756–10760. DOI: 10.1002/anie.201904713. +equally contributed.
23.*
Katharina Herz, Maren Podewitz*, Laura Stöhr, Dongren Wang, Wolfgang Frey, Klaus R. Liedl, Suman Sen, Michael R. Buchmeiser*
“Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N Heterocyclic Carbene”
Journal of the American Chemical Society, 141 (2019), 8264−8276. DOI: 10.1021/jacs.9b02092.
22.
Theresia Erhart, Cecilia Mittelberger, Xiujun Liu, Maren Podewitz, Chengjie Li, Gerhard Scherzer, Gertrud Stoll, Josep Valls, Peter Robatscher, Klaus R. Liedl, Michael Oberhuber, Bernhard Kräutler
“Novel Types of Hypermodified Fluorescent Phyllobilins from Breakdown of Chlorophyll in Senescent Leaves of Grapevine (Vitis vinifera)“
Chemistry – A European Journal, 24 (2018), 17268- 17279. DOI: 10.1002/chem.201803128.

21.

Steffen Spieler, Dennis F. Dinu, Pavol Jusko, Björn Bastian, Malcolm Simpson, Maren Podewitz, Klaus R. Liedl, Stephan Schlemmer, Sandra Brünken, Roland Wester
“Low Frequency Vibrational Anharmonicity and Nuclear Spin Effects of Cl–(H2) and Cl–(D2)”
Journal of Chemical Physics, 149 (2018), 17310. DOI: 10.1063/1.5049680.

20.

Maren Podewitz+, Yin Wang+, Paraskevi Gkeka, Susanne von Grafenstein, Klaus R. Liedl, Zoe Cournia
“Phase Diagram of a Stratum Corneum Lipid Mixture”
Journal of Physical Chemistry B, 122 (2018), 10505-10521. DOI: 10.1021/acs.jpcb.8b07200. +equally contributed.

19.

Birgit J. Waldner, Johannes Kraml, Ursula Kahler, Alexander Spinn, Michael Schauperl, Maren Podewitz, Julian E. Fuchs, Gabriele Cruciani, Klaus R. Liedl
“Electrostatic Recognition in Substrate Binding to Serine Proteases”
Journal of Molecular Recognition, 31 (2018), e2727. DOI: 10.1002/jmr2727.
18.
Jörn Bruns, Maren Podewitz, Klaus R. Liedl, Oliver Janka, Rainer Pöttgen, Hubert Huppertz
“Cu[B2(SO4)4] and Cu[B(SO4)2(HSO4)]—Two Silicate Analogue Borosulfates Differing in their Dimensionality: A Comparative Study of Stability and Acidity
Angewandte Chemie International Edition, 57 (2018), 9548-9552. DOI: 10.1002/anie.201803395 and DOI: 10.1002/ange.201803395.
17.
Stefan Vanicek, Maren Podewitz, Jessica Stubbe, Dennis Schulze, Holger Kopacka, Klaus Wurst, Thomas Müller, Petra Lippmann, Simone Haslinger, Herwig Schottenberger, Klaus R. Liedl, Ingo Ott, Biprajit Sarkar, Benno Bildstein
“Highly Electrophilic, Catalytically Active and Redox- Responsive Cobaltoceniumyl and Ferrocenyl Triazolylidene Coinage Metal Complexes
Chemistry – A European Journal, 24 (2018), 3742-3753. DOI: 10.1002/chem.201705051.

16.

Stefan Vanicek, Maren Podewitz, Christopher Hassenrück, Michael Pittracher, Holger Kopacka, Klaus Wurst, Thomas Müller, Klaus R. Liedl, Rainer F. Winter, Benno Bildstein
“Cobaltocenylidene: A Mesoionic Metalloceno Carbene, Stabilized in a Gold (III) Complex“
Chemistry – A European Journal, 24 (2018), 3165-3169. DOI: 10.1002/chem.201800147.

15.

Chengjie Li, Klaus Wurst, Joachim Berghold, Maren Podewitz, Klaus R. Liedl, Bernhard Kräutler
“Pyro-Phyllobilins: Elusive Chlorophyll Catabolites Lacking a Critical Carboxylate Function of the Natural Chlorophylls”
Chemistry – A European Journal, 24 (2018), 2987-2998. DOI: 10.1002/chem.201705331.

14.

Jörn Bruns, Maren Podewitz, Michael Schauperl, Bastian Joachim, Klaus R. Liedl, Hubert Huppertz
“CaB2S4O16: A Borosulfate Exhibiting a New Structure Type with Phyllosilicate Analogue Topology“
Chemistry – A European Journal, 23 (2018), 16773-16781. DOI: 10.1002/chem.201704228.

13.

Martin K. Schmitt, Maren Podewitz, Klaus R. Liedl, Hubert Huppertz
“High-Pressure Synthesis and Characterization of the Ammonium Yttrium Borate (NH4)YB8O14“
Inorganic Chemistry, 56 (2018), 14291-14299. DOI: 10.1021/acs.inorgchem.7b02402.

12.

Michael Schauperl, Maren Podewitz, Teresa S. Ortner, Franz Waibl, Alexander Thoeny, Thomas Loerting, Klaus R. Liedl
“Balance Between Hydration Enthalpy and Entropy is Important for Ice Binding Surfaces in Antifreeze Proteins”
Scientific Reports, 7 (2017), 11901. DOI: 10.1038/s41598- 017-11982-8.

11.

Jörn Bruns, Maren Podewitz, Michael Schauperl, Klaus R. Liedl, Oliver Janka, Rainer Pöttgen, Hubert Huppertz
“Ag[B(SO4)2] – Synthesis, crystal structure, and characterization of the first precious metal borosulfate”
European Journal of Inorganic Chemistry, 23 (2017), 16773-16781. DOI: 10.1002/ejic.201700360.

10.

Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl
“Binding Pose Flip Explained via Enthalpic and Entropic Contributions”
Journal of Chemical Information and Modeling, 57 (2017), 345-354. DOI: 10.1021/acs.jcim.6b00483.

09.

Chengjie Li, Klaus Wurst, Steffen Jokusch, Karl Gruber, Maren Podewitz, Klaus R. Liedl, Bernhard Kräutler
“Chlorophyll-Derived Yellow Phyllobilins of Higher Plants as Medium-Responsive Chiral Photoswitches”
Angewandte Chemie International Edition, 55 (2016), 15760-15765. DOI: 10.1002/anie.201609481.

08.

Michael Schauperl, Maren Podewitz, Birgit J. Waldner, Klaus R. Liedl
“Enthalpic and Entropic Contributions to Hydrophobicity”
Journal of Chemical Theory and Computation, 12 (2016), 4600– 4610. DOI: 10.1021/acs.jctc.6b00422.

07.

Christian Kramer, Maren Podewitz, Peter Ertl, Klaus R. Liedl
“Unique Macrocycles in the Taiwan Traditional Chinese Medicine Database”
Planta Medica, 81 (2015), 459-466. DOI:10.1055/s-0035-1545881.

06.

Maren Podewitz, Martin T. Stiebritz, Markus Reiher
“An Enquiry into Theoretical Bioinorganic Chemistry: How Heuristic is the Character of Present-Day Quantum Chemical Methods?”
Faraday Discussions, 148 (2011), 119–135. DOI: 10.1039/C004195E.

05.

Maren Podewitz, Markus Reiher
“Spin Interactions in Cluster Chemistry”
Advances in Inorganic Chemistry, 62 (2010), 177–230. DOI:10.1016/S0898-8838(10)62005-3.

04.

Maren Podewitz, Jacco D. van Beek, Michael Wörle, Tobias Ott, Daniel Stein, Heinz Rüegger, Beat H. Meier, Markus Reiher, Hansjörg Grützmacher
“Ion Dynamics in Confined Spaces: Sodium Ion Mobility in Icosahedral Container Molecules”
Angewandte Chemie International Edition, 49 (2010), 7465–7469. DOI: 10.1002/ange.201003441.

03.

Astrid Malassa, Christina Agthe, Helmar Görls, Maren Podewitz, Lian Yu, Carmen Herrmann, Markus Reiher, Matthias Westerhausen
“Synthesis, Structures and Magnetic Properties of N- Trialkylsilyl-8-amidoquinoline Complexes of Chromium, Manganese, Iron, and Cobalt as well as of Wheel-like Hexa-nuclear Iron(II) and Manganese(II) Bis(8-Amidoquinoline)“
European Journal of Inorganic Chemistry, 12 (2010), 1777–1790. DOI: 10.1002/ejic.200901158.

02.

Carmen Herrmann, Maren Podewitz, Markus Reiher
“Restrained Optimization of Broken- Symmetry Determinants”
International Journal of Quantum Chemistry, 109 (2009), 2430–2446. DOI: 10.1002/qua.21997.

01.

Maren Podewitz, Carmen Herrmann, Astrid Malassa, Matthias Westerhausen, Markus Reiher
“Spin-Spin Interactions in Polynuclear Transition-Metal Complexes”
Chemical Physics Letters, 451 (2008), 301–308. DOI: 10.1016/j.cplett.2007.12.011.