Enthalpic and entropic contributions to hydrophobicity M Schauperl, M Podewitz, BJ Waldner, KR Liedl Journal of chemical theory and computation 12 (9), 4600-4610, 2016 | 93 | 2016 |
Highly electrophilic, catalytically active and redox‐responsive cobaltoceniumyl and ferrocenyl triazolylidene coinage metal complexes S Vanicek, M Podewitz, J Stubbe, D Schulze, H Kopacka, K Wurst, ... Chemistry–A European Journal 24 (15), 3742-3753, 2018 | 75 | 2018 |
Coil–Globule Transition Thermodynamics of Poly(N-isopropylacrylamide) M Podewitz, Y Wang, PK Quoika, JR Loeffler, M Schauperl, KR Liedl The Journal of Physical Chemistry B 123 (41), 8838-8847, 2019 | 62 | 2019 |
Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes K Herz, M Podewitz, L Stöhr, D Wang, W Frey, KR Liedl, S Sen, ... Journal of the American Chemical Society 141 (20), 8264-8276, 2019 | 48 | 2019 |
Spin–Spin interactions in polynuclear transition-metal complexes M Podewitz, C Herrmann, A Malassa, M Westerhausen, M Reiher Chemical Physics Letters 451 (4-6), 301-308, 2008 | 43 | 2008 |
Manganese-Catalyzed Dehydrogenative Silylation of Alkenes Following Two Parallel Inner-Sphere Pathways S Weber, M Glavic, B Stöger, E Pittenauer, M Podewitz, LF Veiros, ... Journal of the American Chemical Society 143 (42), 17825-17832, 2021 | 39 | 2021 |
N-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and Their Oxidation to Gold(III) in Aqueous Solutions SK Goetzfried, CM Gallati, M Cziferszky, RA Talmazan, K Wurst, KR Liedl, ... Inorganic Chemistry 59 (20), 15312-15323, 2020 | 37 | 2020 |
The Hydrogenobyric Acid Structure Reveals the Corrin Ligand as an Entatic State Module Empowering B12 Cofactors for Catalysis C Kieninger, E Deery, AD Lawrence, M Podewitz, K Wurst, ... Angewandte Chemie International Edition 58 (31), 10756-10760, 2019 | 31 | 2019 |
Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins M Schauperl, M Podewitz, TS Ortner, F Waibl, A Thoeny, T Loerting, ... Scientific reports 7 (1), 11901, 2017 | 30 | 2017 |
An enquiry into theoretical bioinorganic chemistry: How heuristic is the character of present-day quantum chemical methods? M Podewitz, MT Stiebritz, M Reiher Faraday discussions 148, 119-135, 2011 | 30 | 2011 |
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 J Bruns, M Podewitz, KR Liedl, O Janka, R Pöttgen, H Huppertz Angewandte Chemie International Edition 57 (30), 9548-9552, 2018 | 29 | 2018 |
Quantum chemical microsolvation by automated water placement M Steiner, T Holzknecht, M Schauperl, M Podewitz Molecules 26 (6), 1793, 2021 | 27 | 2021 |
Rapid assembly of tetrasubstituted furans via pummerer-type rearrangement FL Haut, C Habiger, LA Wein, K Wurst, M Podewitz, T Magauer Journal of the American Chemical Society 143 (2), 1216-1223, 2021 | 27 | 2021 |
Binding pose flip explained via enthalpic and entropic contributions M Schauperl, P Czodrowski, JE Fuchs, RG Huber, BJ Waldner, ... Journal of chemical information and modeling 57 (2), 345-354, 2017 | 27 | 2017 |
The interplay of VSCF/VCI calculations and matrix-isolation IR spectroscopy–Mid infrared spectrum of CH3CH2F and CD3CD2F DF Dinu, B Ziegler, M Podewitz, KR Liedl, T Loerting, H Grothe, G Rauhut Journal of Molecular Spectroscopy 367, 111224, 2020 | 26 | 2020 |
Zinc Substitution of Cobalt in Vitamin B12: Zincobyric acid and Zincobalamin as Luminescent Structural B12‐Mimics C Kieninger, JA Baker, M Podewitz, K Wurst, S Jockusch, AD Lawrence, ... Angewandte Chemie 131 (41), 14710-14714, 2019 | 26 | 2019 |
Ion dynamics in confined spaces: sodium ion mobility in icosahedral container molecules M Podewitz, JD van Beek, M Wörle, T Ott, D Stein, H Rüegger, BH Meier, ... Angewandte Chemie International Edition 41 (49), 7465-7469, 2010 | 26 | 2010 |
Restrained optimization of broken‐symmetry determinants C Herrmann, M Podewitz, M Reiher International Journal of Quantum Chemistry 109 (11), 2430-2446, 2009 | 26 | 2009 |
CaB2S4O16: A Borosulfate Exhibiting a New Structure Type with Phyllosilicate Analogue Topology J Bruns, M Podewitz, M Schauperl, B Joachim, KR Liedl, H Huppertz Chemistry–A European Journal 23 (66), 16773-16781, 2017 | 25 | 2017 |
Replacement of the Cobalt Center of Vitamin B12 by Nickel: Nibalamin and Nibyric Acid Prepared from Metal‐Free B12 Ligands Hydrogenobalamin and … C Kieninger, K Wurst, M Podewitz, M Stanley, E Deery, AD Lawrence, ... Angewandte Chemie 132 (45), 20304-20311, 2020 | 21 | 2020 |