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 Date: 2011-06-28 10:47:05Quantum chemistry Atomic physics Hartree–Fock method Møller–Plesset perturbation theory Ab initio quantum chemistry methods Basis set superposition error Gaussian Water dimer Electronic correlation Chemistry Computational chemistry Theoretical chemistry |
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Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA