206 results on '"Fabian Walter"'
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2. Wissenschaft in der betrieblichen Praxis und für die betriebliche Praxis
3. Reactivity of 1,2,3-triazoles towards sulfonyl chlorides. A novel approach to 1- and 2-sulfonyl-4-azolyl-1,2,3-triazoles
4. Rational design of long-wavelength absorbing and emitting carbostyrils aided by time-dependent density functional calculations
5. Structural and Functional Implications of the Interaction between Macrolide Antibiotics and Bile Acids
6. Ring- and side-group conformational properties of di-O-acylated xylopyranosides: A computational study
7. Design of molecular switches and sensors based on proton transfer - Theory vs. experiment
8. Gewerkschaftspresse
9. Computational Design of Long-Wavelength Absorbing and Emitting Carbostyrils
10. Absolute configuration of 1,5-diazepin-2-ones: A critical test case for density functional theory
11. Spectroscopic and quantum mechanical investigation of N,N′-bisarylmalonamides: solvent and structural effects
12. Identification and Application of Enantiocomplementary Lactamases for Vince Lactam Derivatives
13. Long wavelength absorbing carbostyrils as test cases for different TDDFT procedures and solvent models
14. Aerobic oxidation of isosorbide and isomannide employing TEMPO/laccase
15. Phenol–Quinone Tautomerism in (Arylazo)naphthols and the Analogous Schiff Bases: Benchmark Calculations
16. Disentangling scalar coupling patterns by real-time SERF NMR
17. Spectroscopic behavior of loratadine and desloratadine in different aqueous media conditions studied by means of TD-DFT calculations
18. REACTIVITY, STEREO- AND REGIOSELECTIVITY OF DIELS-ALDER REACTIONS BETWEEN FIVE-MEMBERED HETEROCYCLES AND DANISHEFSKY'S DIENE
19. Quantum Chemical Calculation of Tautomeric Equilibria
20. A computational study of base-catalyzed reactions of cyclic 1,2-diones: cyclobutane-1,2-dione
21. Asymmetric Synthesis of 3-Substituted Cyclohexylamine Derivatives from Prochiral DiketonesviaThree Biocatalytic Steps
22. Unusual CC Bond Isomerization of an α,β-Unsaturated γ-Butyrolactone Catalysed by Flavoproteins from the Old Yellow Enzyme Family
23. Modelling heterocyclic azo dye affinities for cellulose fibres by computational approaches
24. A Substrate-Driven Approach to Determine Reactivities of α,β-Unsaturated Carboxylic Esters Towards Asymmetric Bioreduction
25. Diels–Alder reactions for the rational design of benzo[b]thiophenes: DFT-based guidelines for synthetic chemists
26. Absolute configuration of axially chiral bisquinolones: DFT calculations and X-ray crystallography
27. Coordination of Methanol Clusters to Benzene: A Computational Study
28. Selective binding by a divanadium complex of arsenate over phosphate: A computational study
29. Hybrid QM/MM Calculations on the First Redox Step of the Catalytic Cycle of Bovine Glutathione Peroxidase GPX1
30. Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods
31. A highly efficient ADH-coupled NADH-recycling system for the asymmetric bioreduction of carbon-carbon double bonds using enoate reductases
32. Reductive biotransformation of nitroalkenes via nitroso-intermediates to oxazetes catalyzed by xenobiotic reductase A (XenA)
33. Comprehensive DFT Study on Site-, Regio-, and Stereoselectivity of Diels-Alder Reactions Leading to 5-Hydroxybenzofurans
34. Theoretical Prediction of pKa Values of Seleninic, Selenenic, Sulfinic, and Carboxylic Acids by Quantum-Chemical Methods
35. Dibenzocyclooctadiene lignans from Magnolia and Talauma (Magnoliaceae): Their absolute configuration ascertained by circular dichroism and X-ray crystallography and re-evaluation of previously published pyramidatin structures
36. Weinhold’s QCE model – A modified parameter fit. Model study of liquid methanol based on MP2 cluster geometries
37. ChemInform Abstract: Synthesis of Isomeric Isoxazolopyridinones.
38. ChemInform Abstract: Long-Wavelength-Absorbing and -Emitting Carbostyrils with High Fluorescence Quantum Yields.
39. ChemInform Abstract: Ab initio and Density Functional Calculations on the Pericyclic vs Pseudopericyclic Mode of Conjugated Nitrile Ylide 1,5-Electrocyclizations.
40. ChemInform Abstract: Reactions of Carbonyl Compounds in Basic Solutions. Part 36. The Base-Catalyzed Reactions of 1,2-Dicarbonyl Compounds
41. ChemInform Abstract: Biocatalytic Carboxylation
42. Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations
43. Deracemisation of Mandelic Acid to Optically Pure Non‐Natural L‐Phenylglycine via a Redox‐Neutral Biocatalytic Cascade
44. Derivatives of schisandrin with increased inhibitory potential on prostaglandin E2 and leukotriene B4 formation in vitro
45. Noncovalent Interaction between Aniline and Carbon Nanotubes: Effect of Nanotube Diameter and the Hydrogen-Bonded Solvent Methanol on the Adsorption Energy and the Photophysics
46. On- and off column enantiomerization of 4,4′-bisquinolin-2-ones: A comparison of Auto-, DHPLcy2k and DCXplorer calculated thermodynamic data generated by dynamic high, performance liquid chromatography with theoretically calculated data
47. Biocatalytic carboxylation
48. A Mechanistic Study of Hydroxide Anion Addition to Cyclobutane-1,2-dione by Density Functional Theory Calculations
49. GLOBAL REACTIVITY INDEXES CALCULATED ON DIELSALDER PRIMARY ADDUCTS TO STUDY THE REGIO- AND STEREOCHEMISTRY OF THE REACTIONS BETWEEN FURAN DERIVATIVES AND DANISHEFSKY\'S DIENE
50. Theoretical explanation of the regioselectivity of polar cycloaddition reactions between furan derivatives and Danishefsky’s diene
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