596 results on '"Bickelhaupt, F.M."'
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2. A dual attack on the peroxide bond. The common principle of peroxidatic cysteine or selenocysteine residues
3. Palladium-catalyzed activation of H(n)A-AH(n) bonds (AH(n) = CH3, NH2, OH, F)
4. The Search for Enhanced sigma-Donor Ligands to Stabilize Boron-Boron Multiple Bonds
5. Intermolecular Covalent Interactions: Nature and Directionality
6. How Bases Catalyze Diels-Alder Reactions
7. The abnormally long and weak methylidyne C–H bond
8. Probing Polar-pi Interactions Between Tetrazoles and Aromatic Rings
9. Insertion of CO2 and CS2 into Bi–N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer
10. S(N)2 versus E2 Competition of Cyclic Ethers
11. Origin of the Captodative Effect: The Lone-Pair Shielded Radical
12. Understanding chemistry with the symmetry-decomposed Voronoi deformation density charge analysis
13. Origin of the Burgi-Dunitz Angle
14. The abnormally long and weak methylidyne C–H bond
15. B-DNA Structure and Stability: The Role of Nucleotide Composition and Order
16. How Solvation Influences the S(N)2 versus E2 Competition
17. Reading and erasing of the phosphonium analogue of trimethyllysine by epigenetic proteins
18. Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts
19. C(sp(n))-X (n=1-3) Bond Activation by Palladium
20. Palladium-Catalyzed Activation of Carbon-Halogen Bonds: Electrostatics-Controlled Reactivity
21. S(N)2 versus S(N)2 ' Competition
22. Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond
23. Stability of alkyl carbocations
24. Methyl Substitution Destabilizes Alkyl Radicals
25. C(spn)–X (n = 1–3) Bond Activation by Iron
26. Clarifying notes on the bonding analysis adopted by the energy decomposition analysis
27. Through-Space Stabilization of an Imidazolium Cation by Aromatic Rings
28. How Ionization Catalyzes Diels-Alder Reactions
29. Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance
30. Probing Noncovalent Interactions in [3,3]Metaparacyclophanes
31. Probing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents
32. Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Huckel and Baird Rules
33. C-X Bond Activation by Palladium: Steric Shielding versus Steric Attraction
34. Regioselectivity of Epoxide Ring-Openings via S(N)2 Reactions Under Basic and Acidic Conditions
35. Origin of the alpha-effect in S(N)2 reactions
36. Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of urn:x-wiley:01928651:media:jcc26104:jcc26104-math-0002 and CH3Cl
37. Energy decomposition analysis in the context of quantitative molecular orbital theory
38. Aromaticity: foreword
39. Origin of the α-Effect in S(N)2 Reactions
40. The Pauli Repulsion-Lowering Concept in Catalysis
41. Do Sulfonamides Interact with Aromatic Rings?
42. Aromaticity: foreword
43. How Lewis Acids Catalyze Ene Reactions
44. Radical Scavenging Potential of the Phenothiazine Scaffold: A Computational Analysis
45. The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength
46. Dipolar repulsion in alpha-halocarbonyl compounds revisited
47. The Gauche Effect in XCH2CH2X Revisited
48. How metallylenes activate small molecules
49. Proton Transfer and S(N)2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx
50. Designing Rh(I)-Half-Sandwich Catalysts for Alkyne [2+2+2] Cycloadditions
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