87 results on '"McDouall, Joseph J. W."'
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2. Trifluoromethyl Sulfoxides: Reagents for Metal‐Free C−H Trifluoromethylthiolation
3. Trifluoromethyl Sulfoxides: Reagents for Metal‐Free C−H Trifluoromethylthiolation
4. SmI2-catalysed cyclization cascades by radical relay
5. Post-SCF methods: Theory and Practice
6. C−H Borylation/Cross-Coupling Forms Twisted Donor-Acceptor Compounds Exhibiting Donor-Dependent Delayed Emission
7. Radical Anions from Urea-type Carbonyls: Radical Cyclizations and Cyclization Cascades
8. Radical Anions from Urea‐type Carbonyls: Radical Cyclizations and Cyclization Cascades
9. Enantioselective cyclizations and cyclization cascades of samarium ketyl radicals
10. Electronic g Tensors in UV Complexes-A Computational Study
11. Binding CO2 by a Cr8 Metallacrown
12. Binding CO2 by a Cr8 Metallacrown
13. Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts
14. Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N‐Oxide Lewis Base Catalysts
15. ChemInform Abstract: Copper‐Catalyzed Borylative Cross‐Coupling of Allenes and Imines: Selective Three‐Component Assembly of Branched Homoallyl Amines.
16. Thallophilic Tl(i)–Tl(i) contacts mediated by Tl–aryl interactions. A computational study
17. Copper-Catalyzed Borylative Cross-Coupling of Allenes and Imines: Selective Three-Component Assembly of Branched Homoallyl Amines
18. Copper-Catalyzed Borylative Cross-Coupling of Allenes and Imines: Selective Three-Component Assembly of Branched Homoallyl Amines
19. Directed Lithiation of Pentadienylsilanes
20. Bond lengths in transition structures and intermediates of cycloaddition reactions
21. ChemInform Abstract: Dihydrothiophenes Containing Quaternary Stereogenic Centres by Sequential Stereospecific Rearrangements and Ring‐Closing Metathesis.
22. ChemInform Abstract: An Approach to the Synthesis of Functionalized Polycyclic Aromatic Hydrocarbons.
23. Computational investigation of hole mobilities in organic semiconductors: comparison of single crystal structures and surface adsorbed clusters
24. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide
25. Dihydrothiophenes containing quaternary stereogenic centres by sequential stereospecific rearrangements and ring-closing metathesis
26. An Approach to the Synthesis of Functionalized Polycyclic Aromatic Hydrocarbons
27. Electronic and Magnetic Properties of Kremer’s tris-Hydroxo Bridged Chromium Dimer: A Challenge for DFT
28. Origin of Impurities Formed in the Polyurethane Production Chain. 1. Conditions for Chlorine Transfer from an Aryl Isocyanide Dichloride Byproduct
29. Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties
30. Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn–Teller distorted Cu(ii) ion
31. Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(CCHR)(dppe)(η-C7H7)]+and [W(CCR)(dppe)(η-C7H7)]n+(n = 0 or 1)
32. Structure and bonding in three-coordinate N-heterocyclic carbene adducts of iron(ii) bis(trimethylsilyl)amide
33. Nickel(II) and Palladium(II) Complexes of Azobenzene-Containing Ligands as Dichroic Dyes
34. Biocatalytic Desymmetrization of an Atropisomer with both an Enantioselective Oxidase and Ketoreductases
35. Biocatalytic Desymmetrization of an Atropisomer with both an Enantioselective Oxidase and Ketoreductases
36. Tripodal Thiols as Ligands for Molecular Magnets: Very Strong Antiferromagnetic Exchange Interactions in Vanadium(III) Clusters
37. Influence of the N‐Bridging Ligand on Magnetic Relaxation in an Organometallic Dysprosium Single‐Molecule Magnet
38. Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C≡CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)
39. Benzodifurantrione: A Stable Phenylogous Enol
40. Experimental observation of spin delocalisation onto the aryl-alkynyl ligand in the complexes [Mo(CCAr)(Ph2PCH2CH2PPh2)(η-C7H7)]+ (Ar = C6H5, C6H4-4-F; C7H7 = cycloheptatrienyl): an EPR and ENDOR investigation
41. Controlling the Conformational Changes in Donor–Acceptor [4]‐Dendralenes through Intramolecular Charge‐Transfer Processes
42. Controlling Axial Conformation in 2-Arylpyridines and 1-Arylisoquinolines: Application to the Asymmetric Synthesis of QUINAP by Dynamic Thermodynamic Resolution
43. Metallacumulenylidene Complexes in the Cycloheptatrienyl Molybdenum Series [Mo{(C)n═CR2}L2(η-C7H7)]+ (n = 0−2; L2 = P-Donor Ligand). X-ray Crystal Structures of [Mo{C═C(H)Ph}{P(OMe)3}2(η-C7H7)][BF4] and [Mo(C═C═CPh2)(dppe)(η-C7H7)][PF6] and DFT Investigation of Cumulenylidene Ligand Orientations
44. A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
45. High level ab initio and DFT calculations of models of the catalytically active Ni–Fe hydrogenases
46. Simplified Reference Wave Functions for Multireference Perturbation Theory
47. CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree−Fock or Kohn−Sham Orbitals
48. Approximate Procedures in Multireference Perturbation Theory: Successes and Limitations.
49. The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures
50. Poly(3,4-ethylenediselena)thiopheneThe Selenium Equivalent of PEDOT
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