Works matching AU Kastner, Johannes
Results: 96
Towards an Understanding of the Workings of Nitrogenase from DFT CalculationsA Mechanistic Model Derived from Density Functional Calculations (DFT).
- Published in:
- ChemPhysChem, 2005, v. 6, n. 9, p. 1724
- By:
- Publication type:
- Article
Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 52, p. 1, doi. 10.1002/chem.202301818
- By:
- Publication type:
- Article
A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300193
- By:
- Publication type:
- Article
Corrigendum: Quantitative Distinction between Noble Metals Located in Mesopores from those on the External Surface.
- Published in:
- Chemistry - A European Journal, 2022, v. 28, n. 19, p. 1, doi. 10.1002/chem.202200729
- By:
- Publication type:
- Article
Kooperative Lewis‐Säure‐1,2,3‐Triazolium‐Aryloxid‐Katalyse: Addition von Pyrazolonen an Nitroolefine als Zugang zu Diaminoamiden.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202307317
- By:
- Publication type:
- Article
Ein praktikabler und robuster zwitterionischer kooperativer Lewis‐Säure‐/Acetat‐/Benzimidazolium‐Katalysator für direkte 1,4‐Additionen.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 13, p. 1, doi. 10.1002/ange.202217519
- By:
- Publication type:
- Article
Highly Active Cooperative Lewis Acid—Ammonium Salt Catalyst for the Enantioselective Hydroboration of Ketones.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 10, p. 5604, doi. 10.1002/ange.202012796
- By:
- Publication type:
- Article
Status and Direction of Atom Probe Analysis of Frozen Liquids.
- Published in:
- Microscopy & Microanalysis, 2022, v. 28, n. 4, p. 1150, doi. 10.1017/S1431927621013994
- By:
- Publication type:
- Article
Sulfur‐Composites Derived from Poly(acrylonitrile) and Poly(vinylacetylene) – A Comparative Study on the Role of Pyridinic and Thioamidic Nitrogen.
- Published in:
- Batteries & Supercaps, 2023, v. 6, n. 3, p. 1, doi. 10.1002/batt.202200522
- By:
- Publication type:
- Article
Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01254-1
- By:
- Publication type:
- Article
Performance of two complementary machine-learned potentials in modelling chemically complex systems.
- Published in:
- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01073-w
- By:
- Publication type:
- Article
Health-related quality of life is an independent predictor of mortality and hospitalisations in transthyretin amyloid cardiomyopathy: a prospective cohort study.
- Published in:
- Quality of Life Research, 2024, v. 33, n. 10, p. 2743, doi. 10.1007/s11136-024-03723-y
- By:
- Publication type:
- Article
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study.
- Published in:
- Biomolecules (2218-273X), 2021, v. 11, n. 7, p. 1051, doi. 10.3390/biom11071051
- By:
- Publication type:
- Article
Free energy reaction root mapping of alanine tripeptide in water.
- Published in:
- Molecular Physics, 2019, v. 117, n. 17, p. 2284, doi. 10.1080/00268976.2018.1537525
- By:
- Publication type:
- Article
Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations.
- Published in:
- Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1322, doi. 10.1139/V09-092
- By:
- Publication type:
- Article
Averaging Techniques for Reaction Barriers in QM/MM Simulations.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3264, doi. 10.1002/cphc.201402382
- By:
- Publication type:
- Article
Asymmetric Ketone Reduction by Imine Reductases.
- Published in:
- ChemBioChem, 2017, v. 18, n. 3, p. 253, doi. 10.1002/cbic.201600647
- By:
- Publication type:
- Article
Cover Picture: Asymmetric Ketone Reduction by Imine Reductases (ChemBioChem 3/2017).
- Published in:
- ChemBioChem, 2017, v. 18, n. 3, p. 232, doi. 10.1002/cbic.201600704
- By:
- Publication type:
- Article
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide.
- Published in:
- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0323-8
- By:
- Publication type:
- Article
His108Arg Transthyretin Amyloidosis—Shedding Light on a Distinctively Malignant Variant.
- Published in:
- Journal of Clinical Medicine, 2024, v. 13, n. 24, p. 7857, doi. 10.3390/jcm13247857
- By:
- Publication type:
- Article
Leukocyte Indices as Markers of Inflammation and Predictors of Outcome in Heart Failure with Preserved Ejection Fraction.
- Published in:
- Journal of Clinical Medicine, 2024, v. 13, n. 19, p. 5875, doi. 10.3390/jcm13195875
- By:
- Publication type:
- Article
Amyloid Burden Correlates with Electrocardiographic Findings in Patients with Cardiac Amyloidosis—Insights from Histology and Cardiac Magnetic Resonance Imaging.
- Published in:
- Journal of Clinical Medicine, 2024, v. 13, n. 2, p. 368, doi. 10.3390/jcm13020368
- By:
- Publication type:
- Article
What Type of Patients Did PARAGON-HF Select? Insights from a Real-World Prospective Cohort of Patients with Heart Failure and Preserved Ejection Fraction.
- Published in:
- Journal of Clinical Medicine, 2020, v. 9, n. 11, p. 3669, doi. 10.3390/jcm9113669
- By:
- Publication type:
- Article
Convolutional Neural Networks for Fully Automated Diagnosis of Cardiac Amyloidosis by Cardiac Magnetic Resonance Imaging.
- Published in:
- Journal of Personalized Medicine, 2021, v. 11, n. 12, p. 1268, doi. 10.3390/jpm11121268
- By:
- Publication type:
- Article
The ribosome catalyzes peptide bond formation by providing high ionic strength.
- Published in:
- Molecular Physics, 2010, v. 108, n. 3/4, p. 293, doi. 10.1080/00268970903446764
- By:
- Publication type:
- Article
Detecting and Analyzing Fine-Grained User Roles in Social Media.
- Published in:
- Computer Science & Information Systems, 2023, v. 20, n. 3, p. 1263, doi. 10.2298/CSIS220110006K
- By:
- Publication type:
- Article
Hydrogen-Atom Tunneling Could Contribute to H<sub>2</sub> Formation in Space.
- Published in:
- Angewandte Chemie International Edition, 2010, v. 49, n. 40, p. 7350, doi. 10.1002/anie.201001311
- By:
- Publication type:
- Article
Inside Cover: Hydrogen-Atom Tunneling Could Contribute to H<sub>2</sub> Formation in Space (Angew. Chem. Int. Ed. 40/2010).
- Published in:
- Angewandte Chemie International Edition, 2010, v. 49, n. 40, p. 7140, doi. 10.1002/anie.201003663
- By:
- Publication type:
- Article
A Framework and Benchmark for Deep Batch Active Learning for Regression.
- Published in:
- Journal of Machine Learning Research, 2023, v. 24, p. 1
- By:
- Publication type:
- Article
Riociguat in pulmonary hypertension and heart failure with preserved ejection fraction: the haemoDYNAMIC trial.
- Published in:
- European Heart Journal, 2022, v. 43, n. 36, p. 3402, doi. 10.1093/eurheartj/ehac389
- By:
- Publication type:
- Article
Particle methods in natural science and engineering.
- Published in:
- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1493, doi. 10.1140/epjst/e2019-900008-2
- By:
- Publication type:
- Article
Unfolding of DNA by co-solutes: insights from Kirkwood-Buff integrals and transfer free energies.
- Published in:
- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1665, doi. 10.1140/epjst/e2019-800163-5
- By:
- Publication type:
- Article
Copper coordination in formylglycine generating enzymes.
- Published in:
- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1657, doi. 10.1140/epjst/e2019-800149-7
- By:
- Publication type:
- Article
Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 7, p. 866, doi. 10.1002/jcc.25770
- By:
- Publication type:
- Article
Instanton rate constant calculations close to and above the crossover temperature.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2570, doi. 10.1002/jcc.24914
- By:
- Publication type:
- Article
Ruthenium‐Catalyzed Secondary Amine Formation Studied by Density Functional Theory.
- Published in:
- ChemCatChem, 2021, v. 13, n. 5, p. 1383, doi. 10.1002/cctc.202001588
- By:
- Publication type:
- Article
Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase.
- Published in:
- ChemCatChem, 2018, v. 10, n. 5, p. 1052, doi. 10.1002/cctc.201701517
- By:
- Publication type:
- Article
Quality of life of patients with coronary heart disease treated with the bioresorbable vascular scaffold (ABSORB™): 2-year results from the GABI-R-registry.
- Published in:
- 2022
- By:
- Publication type:
- journal article
Cardiac amyloidosis: a significant blind spot of the H<sub>2</sub>FPeF score.
- Published in:
- Panminerva Medica, 2023, v. 65, n. 4, p. 491, doi. 10.23736/S0031-0808.22.04649-3
- By:
- Publication type:
- Article
Theoretische Chemie 2010.
- Published in:
- Nachrichten aus der Chemie, 2011, v. 59, n. 3, p. 284, doi. 10.1002/nadc.201176379
- By:
- Publication type:
- Article
Cooperative Lewis Acid‐1,2,3‐Triazolium‐Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides.
- Published in:
- Angewandte Chemie International Edition, 2023, v. 62, n. 36, p. 1, doi. 10.1002/anie.202307317
- By:
- Publication type:
- Article
A Practical and Robust Zwitterionic Cooperative Lewis Acid/Acetate/Benzimidazolium Catalyst for Direct 1,4‐Additions.
- Published in:
- Angewandte Chemie International Edition, 2023, v. 62, n. 13, p. 1, doi. 10.1002/anie.202217519
- By:
- Publication type:
- Article
Highly Active Cooperative Lewis Acid—Ammonium Salt Catalyst for the Enantioselective Hydroboration of Ketones.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 10, p. 5544, doi. 10.1002/anie.202012796
- By:
- Publication type:
- Article
Stable Cycling of Room‐Temperature Sodium‐Sulfur Batteries Based on an In Situ Crosslinked Gel Polymer Electrolyte.
- Published in:
- Advanced Functional Materials, 2022, v. 32, n. 32, p. 1, doi. 10.1002/adfm.202201191
- By:
- Publication type:
- Article
Predictors of scaffold failure and impact of optimized scaffold implantation technique on outcome: Results from the German‐Austrian ABSORB RegIstRy.
- Published in:
- Catheterization & Cardiovascular Interventions, 2021, v. 98, n. 4, p. E555, doi. 10.1002/ccd.29829
- By:
- Publication type:
- Article
Theory and simulation of atom tunneling in chemical reactions.
- Published in:
- WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 158, doi. 10.1002/wcms.1165
- By:
- Publication type:
- Article
Chem Shell-a modular software package for QM/ MM simulations.
- Published in:
- WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 101, doi. 10.1002/wcms.1163
- By:
- Publication type:
- Article
Umbrella sampling.
- Published in:
- WIREs: Computational Molecular Science, 2011, v. 1, n. 6, p. 932, doi. 10.1002/wcms.66
- By:
- Publication type:
- Article
Oxo‐Bridged Zr Dimers as Well‐defined Models of Oxygen Vacancies on ZrO<sub>2</sub>.
- Published in:
- European Journal of Inorganic Chemistry, 2023, v. 26, n. 12, p. 1, doi. 10.1002/ejic.202200709
- By:
- Publication type:
- Article
Kinetic isotope effects calculated with the instanton method.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 16, p. 3456, doi. 10.1002/jcc.21930
- By:
- Publication type:
- Article