Quantum Chemical Microsolvation by Automated Water Placement

بواسطة Steiner, Miguel, Holzknecht, Tanja, Schauperl, Michael, Podewitz, Maren
الحاوية / القاعدة Molecules (2021)

Enthalpic and Entropic Contributions to Hydrophobicity

بواسطة Schauperl, Michael, Podewitz, Maren, Waldner, Birgit J., Liedl, Klaus R.
الحاوية / القاعدة J Chem Theory Comput (2016)

The intermolecular anthracene-transfer in a regiospecific antipodal C(60) difunctionalization†

بواسطة Talmazan, Radu A., Liedl, Klaus R., Kräutler, Bernhard, Podewitz, Maren
الحاوية / القاعدة Org Biomol Chem (2020)

Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational–Vibrational Spectrum of Water in Solid Noble Gas Matrices

بواسطة Dinu, Dennis F., Podewitz, Maren, Grothe, Hinrich, Liedl, Klaus R., Loerting, Thomas
الحاوية / القاعدة J Phys Chem A (2019)

On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations

بواسطة Dinu, Dennis F., Podewitz, Maren, Grothe, Hinrich, Loerting, Thomas, Liedl, Klaus R.
الحاوية / القاعدة Theor Chem Acc (2020)

Pyro‐Phyllobilins: Elusive Chlorophyll Catabolites Lacking a Critical Carboxylate Function of the Natural Chlorophylls

بواسطة Li, Chengjie, Wurst, Klaus, Berghold, Joachim, Podewitz, Maren, Liedl, Klaus R., Kräutler, Bernhard
الحاوية / القاعدة Chemistry (2018)

Cu[B(2)(SO(4))(4)] and Cu[B(SO(4))(2)(HSO(4))]—Two Silicate Analogue Borosulfates Differing in their Dimensionality: A Comparative Study of Stability and Acidity

بواسطة Bruns, Jörn, Podewitz, Maren, Liedl, Klaus R., Janka, Oliver, Pöttgen, Rainer, Huppertz, Hubert
الحاوية / القاعدة Angew Chem Int Ed Engl (2018)

Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement

بواسطة Haut, Franz-Lucas, Habiger, Christoph, Wein, Lukas A., Wurst, Klaus, Podewitz, Maren, Magauer, Thomas
الحاوية / القاعدة J Am Chem Soc (2021)

Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil–Globule Transition by Markov States

بواسطة Quoika, Patrick K., Fernández-Quintero, Monica L., Podewitz, Maren, Hofer, Florian, Liedl, Klaus R.
الحاوية / القاعدة J Phys Chem B (2021)

Chlorophyll‐Derived Yellow Phyllobilins of Higher Plants as Medium‐Responsive Chiral Photoswitches

بواسطة Li, Chengjie, Wurst, Klaus, Jockusch, Steffen, Gruber, Karl, Podewitz, Maren, Liedl, Klaus R., Kräutler, Bernhard
الحاوية / القاعدة Angew Chem Int Ed Engl (2016)

Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins

بواسطة Schauperl, Michael, Podewitz, Maren, Ortner, Teresa S., Waibl, Franz, Thoeny, Alexander, Loerting, Thomas, Liedl, Klaus R.
الحاوية / القاعدة Sci Rep (2017)

Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations

بواسطة Quoika, Patrick K., Podewitz, Maren, Wang, Yin, Kamenik, Anna S., Loeffler, Johannes R., Liedl, Klaus R.
الحاوية / القاعدة J Phys Chem B (2020)

Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes

بواسطة Herz, Katharina, Podewitz, Maren, Stöhr, Laura, Wang, Dongren, Frey, Wolfgang, Liedl, Klaus R., Sen, Suman, Buchmeiser, Michael R.
الحاوية / القاعدة J Am Chem Soc (2019)

Ni[B(2)(SO(4))(4)] and Co[B(2)(SO(4))(4)]: Unveiling Systematic Trends in Phyllosilicate Analogue Borosulfates

بواسطة Pasqualini, Leonard C., Janka, Oliver, Olthof, Selina, Huppertz, Hubert, Liedl, Klaus R., Pöttgen, Rainer, Podewitz, Maren, Bruns, Jörn
الحاوية / القاعدة Chemistry (2020)

Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides

بواسطة Schmid, Matthias, Sokol, Kevin R., Wein, Lukas A., Torres Venegas, Sofia, Meisenbichler, Christina, Wurst, Klaus, Podewitz, Maren, Magauer, Thomas
الحاوية / القاعدة Org Lett (2020)

Binding Pose Flip Explained via Enthalpic and Entropic Contributions

بواسطة Schauperl, Michael, Czodrowski, Paul, Fuchs, Julian E., Huber, Roland G., Waldner, Birgit J., Podewitz, Maren, Kramer, Christian, Liedl, Klaus R.
الحاوية / القاعدة J Chem Inf Model (2017)

N-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and Their Oxidation to Gold(III) in Aqueous Solutions

بواسطة Goetzfried, Sina K., Gallati, Caroline M., Cziferszky, Monika, Talmazan, Radu A., Wurst, Klaus, Liedl, Klaus R., Podewitz, Maren, Gust, Ronald
الحاوية / القاعدة Inorg Chem (2020)

Electrostatic recognition in substrate binding to serine proteases

بواسطة Waldner, Birgit J., Kraml, Johannes, Kahler, Ursula, Spinn, Alexander, Schauperl, Michael, Podewitz, Maren, Fuchs, Julian E., Cruciani, Gabriele, Liedl, Klaus R.
الحاوية / القاعدة J Mol Recognit (2018)

Replacement of the Cobalt Center of Vitamin B(12) by Nickel: Nibalamin and Nibyric Acid Prepared from Metal‐Free B(12) Ligands Hydrogenobalamin and Hydrogenobyric Acid

بواسطة Kieninger, Christoph, Wurst, Klaus, Podewitz, Maren, Stanley, Maria, Deery, Evelyne, Lawrence, Andrew D., Liedl, Klaus R., Warren, Martin J., Kräutler, Bernhard
الحاوية / القاعدة Angew Chem Int Ed Engl (2020)

Cobaltocenylidene: A Mesoionic Metalloceno Carbene, Stabilized in a Gold(III) Complex

بواسطة Vanicek, Stefan, Podewitz, Maren, Hassenrück, Christopher, Pittracher, Michael, Kopacka, Holger, Wurst, Klaus, Müller, Thomas, Liedl, Klaus R., Winter, Rainer F., Bildstein, Benno
الحاوية / القاعدة Chemistry (2018)