THE RELATIVE SIGNS OF THE NMR COUPLING CONSTANTS IN STYRENE OXIDE BY DOUBLE RESONANCE
Relative signs of nuclear magnetic resonance spin- spin coupling constant in styrene oxide by double resonance
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Relative signs of nuclear magnetic resonance spin- spin coupling constant in styrene oxide by double resonance
Geminal and vicinal proton-proton couplings - nuclear magnetic resonance spin-spin coupling
Integrals of dipolar interactions between electron spins in atoms and molecules calculated without approximation
Two-electron spectra with consideration of four pure coupling types in study of energy level structure, relative line strengths and Lande g factors
Relative signs of nuclear spin coupling constants in propylene oxide and indene oxide obtained from iterative analysis of NMR spectra
Excited states of neutral He, obtaining wave functions from minimum principle by configuration interaction procedure
Location and nature of singularity of Ising square lattice susceptibility, using Pade approximation based on Clapp spin-spin correlation function
Nuclear magnetic resonance of phosphorus compounds, discussing signs of spin-spin couplings in dimethylphosphine and methylphosphine
Approximate ground state wave functions used in calculation of interaction energies by second- order perturbation theory
Spin-spin interaction energy for large separations of two ground state hydrogen atoms
Signs of phosphorus-fluorine nuclear resonance spin-spin coupling constants
Spin-spin coupling constants from perturbation- variation and first order perturbed trial function assumptions
Si and S ion oscillator strengths for resonance lines in solar spectrum, discussing spin-spin and spin-other orbit interactions
NMR spin-spin coupling constants between vinyl protons in cyclopentadiene, 1,3-cyclohexadiene and 1-3-cyclooctadiene from spectrum analysis
The hfs of five rotational transitions of furan (C4H4O) has been resolved with a beam maser spectrometer with a resolution of about 500 Hz. All significant details of the observed structure are accounted for by the spin-spin and spin-rotation interactions of the four protons, and the coupling constants for these interactions have been determined to high precision. In particular, the diagonal elements of the spin-rotation tensors have been determined to about 10 Hz.
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The FP-INDO (finite perturbation-intermediate neglect of differential overlap) method is used to calculate the H-H, C-H, and C-C coupling constants in hertz for molecules of six different benzenoid hydrocarbons: benzene, naphthalene, biphenyl, anthracene, phenanthrene, and pyrene. The calculations are based on both the actual and the average molecular geometries. It is found that only the actual molecular geometries can always yield the correct relative order of values for the H-H coupling constants. For the calculated C-C coupling constants, as for the calculated C-H coupling constants, the signs are positive (negative) for an odd (even) number of bonds connecting the two nuclei. Agreements between the calculated and experimental values of the coupling constants for all six molecules are comparable to those reported previously for other molecules.
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