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Quantum 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


Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA
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Document Date: 2011-06-28 10:47:05


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projection operator / energy values / conventional energy / interaction energy / energy difference / energy / ultimate solution / potential energy surface / intermolecular systems / zero-order energy / /

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Debrecen University / National Institute for Research and Development of Isotopic / Cambridge University / Foundation for Hungarian Education and Research / Molecular Biophysics Department / German Cancer Research Center / Hungary University of Debrecen Institute of Mathematics and Informatics / Department of Theoretical Physics / Ministry of Education Hungary / European Union / /

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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY / /

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