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absorption anthracene aromatic atomic orbitals Attn axis azulene benzene bond lengths borine carbonyl bromine Chem complexes compounds computed conjugated conjugated system copy corresponding D. R. Hartree Department of Chemistry Department of Physics diborane electronic structure ﬁnd force constants frequencies halogens Hartree homopolar homopolar bonds hybrid I I I I I Q I Q I I Q Q inert solvents intensity interaction interatomic distance iodine IQ Q J. R. Platt LCAO lone pairs molecular orbitals molecules Mulliken naphthalene non-bonded observed overlap integrals Phys polarity porphine porphyrin predicted probably Prof Q 0 Q Q 1 Q Q I I Q I Q Q Q I Q Q Q Q Q Q QQ QQ Q repulsions resonance structures secular equations similar singlet spectra spectrum symmetry Table tetrahydro-porphyrin tetrahydroporphine transition ultraviolet valence vapor vibration weak