469 results on '"Kirchner, Barbara"'
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2. A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures
3. Real-World Predictions from Ab Initio Molecular Dynamics Simulations
4. Ionic Liquids from Theoretical Investigations
5. Quantum Cluster Equilibrium
6. Green Chemistry from Supercomputers: Car–Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids
7. Green Chemistry from Supercomputers: Car-Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids
8. Car–Parrinello Molecular Dynamics Simulations and Biological Systems
9. Green Chemistry from Supercomputers: Car-Parrinello Simulations for Ionic Liquids
10. Ionic Liquids from A1C13
11. Hydrophobic Solvation in Liquid Water Via Car-Parrinello Molecular Dynamics: Progress and First Results
12. Phosphorescent Ir(III) Complexes for Biolabeling and Biosensing
13. Determination and Imaging of Small Biomolecules and Ions Using Ruthenium(II) Complex-Based Chemosensors
14. Luminescent Metal Complexes for Bioassays in Near-infrared (NIR) Region
15. Post-complexation Functionalization of Cyclometalated Iridium(III) Complexes and Applications to Biomedical and Material Sciences
16. Luminescent metal complexes as emerging tools for lipid imaging
17. Metal peptide conjugates in cell and tissue imaging and biosensing
18. The Static–Dynamic–Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking
19. Technological Advances in Remote Collaborations
20. Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open Questions
21. Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space
22. NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes
23. Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
24. Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD Package
25. MLatom 2: An Integrative Platform for Atomistic Machine Learning
26. Functional Polymer Systems with Aggregation-Induced Emission and Stimuli Responses
27. Recent Advances in Clusteroluminescence
28. Status and Prospects of Aggregation-Induced Emission Materials in Organic Optoelectronic Devices
29. Aggregation-induced emission fluorescent gels: Current trends and future perspectives
30. Mechanofluorochromism with Aggregation-Induced Emission (AIE) Characteristics: A Perspective Applying Isotropic and Anisotropic Force
31. Modulation of Aggregation-Induced Emission by Excitation Energy Transfer: Design and Application
32. Recent Trends in the Design, Synthesis, Spectroscopic Behavior, and Applications of Benzazole-Based Molecules with Solid-State Luminescence Enhancement Properties
33. Aggregation-Induced Emission: From Small Molecules to Polymers—Historical Background, Mechanisms and Photophysics
34. Imaging, Identification and Inhibition of Microorganisms Using AIEgens
35. Aggregation-Induced Emission in Electrochemiluminescence: Advances and Perspectives
36. Enzyme Responsive Peptide-Based AIE Bioprobes
37. Proteins-based nanocatalyts for energy conversion reactions
38. Quantum Dot bioconjugates for diagnostic applications
39. Bioconjugated Plasmonic Nanoparticles for Enhanced Skin Penetration
40. DNA-Iron oxide nanoparticles conjugates: functional magnetic nanoplatforms in biomedical applications
41. TiO2 Nanomaterials in Photoelectrochemical and Electrochemiluminescent Biosensing
42. Carbon Nanotubes in Biomedicine
43. Gold, silver and iron oxide nanoparticles: Synthesis and bionanoconjugation strategies aiming to electrochemical applications
44. Magnetic Nanoparticles as MRI Contrast Agents
45. DNA-driven Nanoparticle Assemblies for Biosensing and Bioimaging
46. Oligonucleotide-Polymer Conjugates: From Molecular Basic to Practical Application
47. Biotechnological and Therapeutic Applications of Natural Nucleic Acid Structural Motifs
48. DNA-Scaffolded Proximity Assembly and Confinement of Multienzyme Reactions
49. Tailoring DNA self-assembly to build hydrogels
50. Directional assembly of nanoparticles by DNA shapes: towards designed architectures and functionality
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