Formamide

Results: 22



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21Theoretical chemistry / Basis set superposition error / Møller–Plesset perturbation theory / Hartree–Fock method / Interaction energy / Basis set / MPEG-1 Audio Layer II / Quantum chemistry composite methods / Chemistry / Computational chemistry / Quantum chemistry

BSSE-Free Description of the Formamide Dimers A. BENDE,1 Á. VIBÓK,1 G. J. HALÁSZ,2 S. SUHAI3 1 University of Debrecen, Department of Theoretical Physics, H-4010 Debrecen, Hungary

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 11:15:27
22Theoretical chemistry / Chemical bonding / Basis set superposition error / Intermolecular forces / Ab initio quantum chemistry methods / Crystal / Møller–Plesset perturbation theory / Water dimer / Hydrogen bond / Chemistry / Quantum chemistry / Computational chemistry

BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:46:16
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