Orientational dependence of vicinal proton‐proton NMR coupling constants: The Karplus relationship

Concepts in Magnetic Resonance

Volumn 6, Issue 1, 1994, Pages 41-56

  Minch, Michael J ^a  

^a UNIVERSITY OF THE PACIFIC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 21344494495     PISSN: 10437347     EISSN: 10990534     Source Type: Journal    
DOI: 10.1002/cmr.1820060104     Document Type: Article

References (64)

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3. The Configuration of 3‐Methoxycyclohexene Oxides
4. Electron‐Coupled Interactions between Nuclear Spins in Molecules
5. Valence Bond Interpretation of Electron‐Coupled Nuclear Spin Interactions; Application to Methane
6. Contact Electron‐Spin Coupling of Nuclear Magnetic Moments
7. Vicinal Proton Coupling in Nuclear Magnetic Resonance
8. Valence Bond Bond‐Order Formulation for Contact Nuclear Spin‐Spin Coupling
9. Extension of the Valence‐Bond Description of Nuclear Spin‐Spin Coupling
10. Proton Resonance Spectra and Conformations of the Prolines. II. Conformations of Trans Hydroxy‐L‐proline and Cis (allo) Hydroxy‐L‐proline
11. Rotational Isomerism. V. Nuclear Magnetic Resonance Study of 1, 2‐diiodethane
12. Geminal and Vicinal Proton‐Proton Coupling Constants in Organic Compounds
13. Cyclic Peptides. I. Cyclo(tri‐L‐prolyl) and Derivatives
14. Dihedral Angle ‐Vicinal Proton Coupling Constant Correlation for the αβ Bond of Amino Acid Residues
15. Conformations of Nucleosides and Nucleotides
16. 1H NMR Spectra of Ferrichrome Peptides. II. The Amide Resonances
17. Dihedral Angular Dependence of H‐N‐C‐H Coupling Constants. Protonated Amines in Trifluoroacetic Acid
18. Variation of the NH‐CαH Coupling Constant with Dihedral Angle in the NMR Spectra of Peptides
19. Conformational Dependence of Vicinal H‐N‐C‐H Coupling Constants in Peptides
20. Spin‐Spin Coupling and Conformational States of Peptide Systems
21. HNα in a Globular Protein
22. Accurate Measurements of Coupling Constants from Two‐Dimensional Nuclear Magnetic Resonance Spectra of Proteins and Determination of ϕangles
23. 15N‐Enriched Proteins
24. Stereochemical Dependence of Vicinal H‐C‐O‐H Coupling Constants
25. Conformational Studies on Pyranoid Sugar Derivatives by NMR Spectroscopy. Correlations of Observed Proton‐Proton Coupling Constants with the Generalized Karplus Equation
26. Proton Magnetic Resonance Spectra of Some Substituted Ethanes. Influence of Substitution on CH‐CH Coupling Constants
27. Calculation of Dihedral Angles from Vicinal Proton Coupling Constants and Substituent Electronegativities
28. Prediction of Anti and Gauche Vicinal Proton‐Proton Coupling Constants in Carbohydrates: Simple Additivity Rule for Pyranose Rings
29. Bond Energies and Polarities
30. An Empirical Extension of the Karplus Equation
31. Critical Evaluation of an Empirically Modified Karplus Equation
32. Calculating Group Electronegativity
33. An Equation Utilizing Empirically Derived Substituent Constants for the Prediction of Vicinal Coupling Constants in Substituted Ethanes
34. Theory of Nuclear Spin‐Spin Coupling
35. Calculations of Nuclear Spin‐Spin Coupling Constants
36. Calculations of Nuclear Spin‐Spin Couplings
37. Molecular Orbital Theory of Hydrocarbons. Delocalization in Paraffins
38. Molecular Orbital Theory of Nuclear Spin Coupling Constants
39. Molecular Orbital Theory of Hydrocarbons. III. Nuclear Spin Coupling Constants
40. 1H Coupling Constants
41. Approximate Self‐Consistent Molecular Orbital Theory of Nuclear Spin Coupling. IV. Vicinal Proton‐Proton Coupling Constants in Substituted Ethanes and Ethylenes and Related Compounds
42. Finite Perturbation Configuration Interaction Calculations of Nuclear Spin‐Spin Coupling Constants. Vicinal Protons in Ethane
43. Finite Perturbation‐Configuration Interaction Calculations of Nuclear Spin‐Spin Coupling Constants for Some Monosubstituted Methanes
44. Calculation of NMR Spin‐Spin Coupling Constants Using the Extended Hückel Molecular Orbital Method
45. Electron Withdrawal Power of Substituent Groups
46. Substituent Electronegativity Parameters
47. General Approach for Determining Scalar Coupling Constants in Polypeptides and Proteins
48. Combined Use of Homo‐ and Heteronuclear Coupling Constants as Restraints in Molecular Dynamics Simulations
49. Determination of the ϕ Angle in a Peptide Backbone by NMR Spectroscopy with a Combination of Homonuclear and Heteronuclear Coupling Constants