240 results on '"Sauer, P"'
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2. 199Hg NMR Shielding and Chemical Shifts of 2‑, 3‑, and 4‑Coordinate Hg(II)-Thiolate Species.
3. Supercritical Water Gasification of Ethanol as Biomass Model Compound in Tandem with Steam Reforming: Kinetic Modeling of the Reforming Step and Techno-Economic Analysis of the Integrated Concept.
4. Stress-Dependent Optical Extinction in Low-Pressure Chemical Vapor Deposition Silicon Nitride Measured by Nanomechanical Photothermal Sensing.
5. Reduced Density Matrix Formulation of Quantum Linear Response.
6. Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators.
7. Capturing Mercury-197m/g for Auger Electron Therapy and Cancer Theranostic with Sulfur-Containing Cyclen-Based Macrocycles.
8. Exploring Conformational Landscapes Along Anharmonic Low-Frequency Vibrations.
9. Low-Cost Alternative for Online Analysis of Volatile Organic Compounds.
10. Neochetracin: An Unusual Chetracin-Type Epithiodiketopiperazine Derivative Produced by the Fungus Amesia atrobrunnea.
11. Linear and Nonlinear Dielectric Response of Intrinsically Disordered Proteins.
12. Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer.
13. Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing.
14. Which Options Exist for NISQ-Friendly Linear Response Formulations?
15. Detergents with Scalable Properties Identify Noncanonical Lipopolysaccharide Binding to Bacterial Inner Membrane Proteins.
16. Still in Search for an EAAT Activator: GT949 Does Not Activate EAAT2, nor EAAT3 in Impedance and Radioligand Uptake Assays.
17. Hybrid RPA:DFT Approach for Adsorption on Transition Metal Surfaces: Methane and Ethane on Platinum (111).
18. Characterization of Surface Modifications in Oxygen Plasma-Treated Teflon AF1600.
19. Gasoline Synthesis from Biomass-Derived Syngas Comparing Different Methanol and Dimethyl Ether Pathways by Process Simulation, Based on the Bioliq Process.
20. Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
21. Exploring Alternate Methods for the Calculation of High-Level Vibrational Corrections of NMR Spin–Spin Coupling Constants.
22. Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
23. Papain-Based Solubilization of Decellularized Extracellular Matrix for the Preparation of Bioactive, Thermosensitive Pregels.
24. Trifunctional Linkers Enable Improved Visualization of Actin by Expansion Microscopy.
25. Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory.
26. Characterization of an Autoinducing Peptide Signal Reveals Highly Efficacious Synthetic Inhibitors and Activators of Quorum Sensing and Biofilm Formation in Listeria monocytogenes.
27. Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.
28. Influence of Increased Cell Densities on Product Ratio and Productivity in Syngas Fermentation.
29. Frequency-Selective Anharmonic Mode Analysis of Thermally Excited Vibrations in Proteins.
30. Comparison of Experimental Results with Thermodynamic Equilibrium Simulations of Supercritical Water Gasification of Concentrated Ethanol Solutions with Focus on Water Splitting.
31. Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase.
32. Ab Initio Prediction of Adsorption Selectivities for Binary Gas Mixtures on a Heterogeneous Metal–Organic Framework Surface.
33. Impact of Applicability Domains to Generative Artificial Intelligence.
34. FhuA: From Iron-Transporting Transmembrane Protein to Versatile Scaffolds through Protein Engineering.
35. Molecular Dynamics with Chemical AccuracyAlkane Adsorption in Acidic Zeolites.
36. Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI).
37. Anthropogenic and Biogenic Contributions to the Organic Composition of Coastal Submicron Sea Spray Aerosol.
38. Nanoscale View of Engineered Massive Dirac Quasiparticles in Lithographic Superstructures.
39. Effects of Atmospheric Aging Processes on Nascent Sea Spray Aerosol Physicochemical Properties.
40. A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?
41. Plasma Functionalization of Silica Bilayer Polymorphs.
42. Rigid Body Approximation for the Anharmonic Description of Molecule–Surface Vibrations.
43. Dissolution Rate of Nanomaterials Determined by Ions and Particle Size under Lysosomal Conditions: Contributions to Standardization of Simulant Fluids and Analytical Methods.
44. Investigation of Radial Shaft Seal Swelling Using a Special Tribometer and Magnetic Resonance Imaging.
45. Size-Dependent Morphology, Composition, Phase State, and Water Uptake of Nascent Submicrometer Sea Spray Aerosols during a Phytoplankton Bloom.
46. Simultaneous, High-Precision Measurements of δ²H and δ13C in Nanomole Quantities of Acetate Using Electrospray Ionization-Quadrupole-Orbitrap Mass Spectrometry.
47. On the Unexpected Accuracy of the M06L Functional in the Calculation of 1JFC Spin–Spin Coupling Constants.
48. Evolution of Sea Spray Aerosol Particle Phase State Across a Phytoplankton Bloom.
49. The Chemical Nature of Ti4O10–: Vibrational Predissociation Spectroscopy Combined with Global Structure Optimization.
50. Development of Consistent Kinetic Models Derived from a Microkinetic Model of the Methanol Synthesis.
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