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W Kolos and L Wolniewicz PotentialEnergy Curves for the XJZ+ b32+ andcll
W Kolos and L Wolniewicz Vibronic Energy and Dipole Moment of HD
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A. C. Wahl accurate AO's approximation atomic units ATTN avoided crossing bands basis functions basis set C. C. J. Roothaan calculations Chem Chemistry University clamped nuclei cm cm cm coefficients complex computed configuration corrections correlation corresponding Department of Chemistry Department of Physics dipole discussed electron configuration electronic expansion expectation values exponents H H H hartree Hartree-Fock hydrogen bonding integrals interaction internuclear distance iodine Laboratory of Molecular large R values LCAO LCAS LCAS functions matrix elements method molecular constants Molecular Structure nuclear motion obtained one-center ooooooooo optimized orbital perturbation Phys polarizability potential curves potential-energy curve predissociation present Prof pyridine R. S. Mulliken Research rH rH rH rotational constants Rydberg MO's spectrum STO's symmetry Table term values theoretical tion transition trimethylamine N-oxide vibrational levels wave functions wavefunction