200 results on '"Branchadell V"'
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2. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes
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3. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes
4. SO 3 complexes with nitrogen containing ligands as the object of nuclear quadrupole interactions and density functional theory calculations
5. HFI and DFT study of the bonding in complexes of halogen and interhalogen diatomics with Lewis base
6. Stereoselective synthesis of cyclobutyl α-aminocyclopropyl carboxylic acid derivatives
7. On the bonding of first-row transition metal cations to guanine and adenine nucleobases
8. A theoretical study of methylation and CH/π interactions in DNA intercalation: methylated 1,10-phenanthroline in adenine–thymine base pairs
9. Modeling the Structure and Reactivity of Transition Metal Hydride Complexes
10. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes
11. Atomic Reference Energies for DFT calculations
12. Cyclobutyl-carbonyl substituted PNA: synthesis and study of a novel PNA derivative
13. ChemInform Abstract: 5-Ylidene-2(5H)-furanones as Dienophiles in Diels-Alder Cycloadditions: Effect of the Substituents on the Site-Selectivity.
14. ChemInform Abstract: The Lewis Acidity Scale of Boron Trihalides. An ab initio Study
15. ChemInform Abstract: Diels-Alder Cycloadditions of Electron-Rich, Electron-Deficient, and Push-Pull Dienes with Cyclic Dienophiles: High-Pressure-Induced Reactions and Theoretical Calculations.
16. ChemInform Abstract: Diastereofacial Selectivity in Uncatalyzed Diels-Alder Cycloadditions Involving α,β-Unsaturated Esters and Lactones with Stereogenic Centers Containing Oxygen Functionalities.
17. ChemInform Abstract: Enantioselective Synthesis of Chiral Polyfunctional Cyclopentane Derivatives: Epoxy Esters, Hydroxy Esters, and Hydroxy Amino Esters.
18. ChemInform Abstract: A Biradical Mechanism in the Diels-Alder Reactions of 5-Methylene-2(5H)-furanones: Experimental Evidence and Theoretical Rationalization.
19. Contribution of Quantum Chemistry to the Study of Dienes and Polyenes
20. Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds
21. SO3 complexes with nitrogen containing ligands as the object of nuclear quadrupole interactions and density functional theory calculations
22. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes
23. Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study
24. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes.
25. ChemInform Abstract: Controlling π‐Facial Diastereoselectivity in the 1,3‐Dipolar Cycloadditions of Diazomethane to Chiral Pentenoates and Furanones: Enantioselective Stereodivergent Syntheses of Cyclopropane Hydroxy Acids and Didehydro Amino Acids.
26. Theoretical Study of M+−CO2 and OM+CO Systems for First Transition Row Metal Atoms
27. Contribution of Quantum Chemistry to the Study of Dienes and Polyenes
28. Atomic reference energies for density functional calculations
29. ChemInform Abstract: Ab initio Study of endo/exo and Diastereofacial Selectivities in Diels‐ Alder Reactions Between Chiral Butenolides and Cyclopentadiene.
30. ChemInform Abstract: Rotational Barriers in Trimethylenemethane‐Fe(CO)2L Complexes. A Density Functional Study
31. Theoretical study of the regioselectivity in the diels-alder reactions of protoanemonin with substituted dienes
32. ChemInform Abstract: Unsaturated Acid Derivatives in Diels‐Alder Cycloadditions: Effect of the Extended or Cross Conjugation.
33. 5-Ylidene-2(5)-furanones as dienophiles in Diels-Alder cycloadditions: effect of the substituents on the site-selectivity
34. Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds.
35. ChemInform Abstract: 5-Methylene-2(5H)-furanone in Diels-Alder Reactions with Cyclic Dienes: endo/exo Selectivity.
36. ChemInform Abstract: 5‐Methylene‐2(5H)‐furanone as a Dienophile in Diels‐Alder Cycloadditions: Site Selectivity and Regioselectivity.
37. Keto−Enol Isomerization of Acetaldehyde in HZSM5. A Theoretical Study Using the ONIOM2 Method
38. Theoretical Study on the Regioselectivity of Nucleophilic Attack in Silyl-Substituted (Diphosphino)(η<SUP>3</SUP>-allyl)palladium Cations
39. On the NO Decomposition by Cu−ZSM-5 through the ZCu(NO<INF>2</INF>)(NO) or ZCu(N<INF>2</INF>O<INF>3</INF>) Intermediates
40. Bond Shift Isomerization in Cyclic and Acyclic (triene)Fe(CO)<INF>3</INF> Complexes. A Density Functional Study
41. Theoretical Study of the Structure of ZCu(NO<INF>2</INF>)(NO). A Proposed Intermediate in the NO<INF>x</INF><INF></INF> Decomposition by Cu−ZSM-5
42. Density Functional Study on the Regioselectivity of Nucleophilic Attack in 1,3-Disubstituted (Diphosphino)(η<SUP>3</SUP>-allyl)palladium Cations
43. Structure and Fluxional Behavior of (η<SUP>4</SUP>-butadiene)Fe(CO)<INF>2</INF>L (L = CO, PH<INF>3</INF>, PMe<INF>3</INF>) Complexes. A Density Functional Study
44. Metal−Phosphorus Bonding in Fe(CO)<INF>4</INF>PR<INF>3</INF> Complexes. A Density Functional Study
45. Coordination of NO<INF>2</INF> to Alkaline-Earth Metals. A Theoretical Study
46. Theoretical Study of the Mechanism of the Addition of Diazomethane to Ethylene and Formaldehyde. Comparison of Conventional ab Initio and Density Functional Methods
47. The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study
48. Reactivity and selectivity in catalyzed diels-alder reactions
49. ChemInform Abstract: CO2 Rotational Isomerism in Bis(ethylene)(carbon dioxide)molybdenum Complexes: A Theoretical Study
50. On the mechanism of Diels—Alder reactions catalyzed by Lewis acids
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