939 results on '"Engels, Bernd"'
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2. Substitution-Induced Mechanistic Switching in SNAr-Warheads for Cysteine Proteases
3. Comparison of the periodic slab approach with the finite cluster ansatz for metal-organic interfaces at the example of PTCDA on Ag(110)
4. Synthesis and Reactivity of a Dialane‐Bridged Diradical
5. Optical Absorption Properties in Pentacene/Tetracene Solid Solutions
6. Femtosecond dynamics of diphenylpropynylidene in ethanol and dichloromethane
7. Substitution-Induced Mechanistic Switching in S N Ar-Warheads for Cysteine Proteases.
8. Synthese und Reaktivität eines Dialanverbrückten Diradikals.
9. Cluster-Based Approach Utilizing Optimally Tuned TD-DFT to Calculate Absorption Spectra of Organic Semiconductor Thin Films
10. Synthesis and Reactivity of Highly Electron-Rich Zerovalent Group 10 Diborabenzene Pogo-Stick Complexes
11. Effects of Characteristic Length Scales on the Exciton Dynamics in Rubrene Single Crystals
12. Correction to “Anionic Boron- and Carbon-Based Hetero-Diradicaloids Spanned by a p-Phenylene Bridge”
13. Nitrogen fixation and reduction at boron
14. Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivals.
15. Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy.
16. Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study
17. Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet–triplet gaps
18. Unveiling the intersystem crossing dynamics in N-annulated perylene bisimides.
19. Multifaceted behavior of a doubly reduced arylborane in B–H-bond activation and hydroboration catalysis
20. QM/MM Investigations Of Organic Chemistry Oriented Questions
21. Adsorption Structures Affecting the Electronic Properties and Photoinduced Charge Transfer at Perylene‐Based Molecular Interfaces.
22. Fragmentation of isocyanic acid, HNCO, following core excitation and ionization.
23. Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment
24. Structure and bonding of proximity‐enforced main‐group dimers stabilized by a rigid naphthyridine diimine ligand
25. Modulation of the Naked‐Eye and Fluorescence Color of a Protonated Boron‐Doped Thiazolothiazole by Anion‐Dependent Hydrogen Bonding
26. Multidimensional spectroscopy of photoreactivity
27. Accurate Polarization-Resolved Absorption Spectra of Organic Semiconductor Thin Films Using First-Principles Quantum-Chemical Methods: Pentacene as a Case Study
28. Integrierte Logistik- und Verwertungsplanung beim Produktrecycling
29. Electrophilic activation of difunctional aminoboranes: B–N coupling versus intramolecular Cl/Me exchange
30. Structure and bonding of proximity‐enforced main‐group dimers stabilized by a rigid naphthyridine diimine ligand.
31. 2-Sulfonylpyrimidines as Privileged Warheads for the Development of S. aureus Sortase A Inhibitors
32. A rigid redox-active-ligand-supported bis(germylene) as a two-centre six-electron donor
33. Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?
34. Methylbismuth: an organometallic bismuthinidene biradical† †Electronic supplementary information (ESI) available. CCDC 1991253. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d0sc02410d
35. Theoretical and spectroscopic studies on the conformational equilibrium of 9-oxabispidines in solution
36. Frontispiz: Das Dimethylbismut‐Kation: Zugang zu dativen Bi‐Bi‐Bindungen und unkonventionellem Methylaustausch
37. Frontispiece: The Dimethylbismuth Cation: Entry Into Dative Bi−Bi Bonding and Unconventional Methyl Exchange
38. Closed-Loop Supply Chains for Spent Batteries
39. Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with β-amyloid, acetylcholine, and butyrylcholine esterases
40. The Dimethylbismuth Cation: Entry Into Dative Bi−Bi Bonding and Unconventional Methyl Exchange
41. Das Dimethylbismut‐Kation: Zugang zu dativen Bi‐Bi‐Bindungen und unkonventionellem Methylaustausch
42. Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure–Activity Relationship, Inhibition Mechanism, Metabolism, and In Vivo Studies
43. Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn−Mn Bonds Stabilized by N‐Heterocyclic Carbenes
44. Isolierung neutraler, mono‐ und dikationischer B 2 P 2 ‐Ringe durch Addition eines Diphosphans an eine Bor‐Bor‐Dreifachbindung
45. Isolation of Neutral, Mono‐, and Dicationic B 2 P 2 Rings by Diphosphorus Addition to a Boron−Boron Triple Bond
46. Assessment of quantum chemical methods and basis sets for excitation energy transfer
47. A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure
48. Anionic Boron- and Carbon-Based Hetero-Diradicaloids Spanned by a p-Phenylene Bridge
49. Twisting versus Delocalization in CAAC‐ and NHC‐Stabilized Boron‐Based Biradicals: The Roles of Sterics and Electronics
50. Front Cover: Twisting versus Delocalization in CAAC‐ and NHC‐Stabilized Boron‐Based Biradicals: The Roles of Sterics and Electronics (Chem. Eur. J. 16/2021)
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