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3-Indandione AA'BB algorithm analysis anisotropy of molecular auto correlation behavior benzene calculated carbon CHCH Chem chemical shifts coefficients compounds contributions correlation function coupling constants cross correlation data fitting decoupling define density matrix described determined dilute dipolar spectral densities dipole-dipole effects eigenstate equilibrium experiment experimental Figure fitting parameters full recovery curve functions GPYR H data H relaxation Hamiltonian IDD and MID initial rates initial slopes interactions intermolecular line intensities linear matrix elements measured modified spectral density molecular geometry molecular motion molecular reorientation motional anisotropy motional parameters nitrobenzene NMR relaxation nuclear spin nuclei obtained ODCB parame perturbations Phys planar molecules population differences predicted proton pulse quadrupolar R. L. Void random field relaxation data resonance RMS error rotational diffusion constants solutions solvent spectral density ratios spectral lines spectral magnetizations spin system spin-lattice relaxation tensor tion transition probability values x y z