Møller–Plesset perturbation theory

Results: 13



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11Quantum chemistry / Møller–Plesset perturbation theory / Hartree–Fock method / Basis set superposition error / MP2 / MPEG-1 Audio Layer II / Molecular orbital / Gaussian / Perturbation theory / Chemistry / Computational chemistry / Theoretical chemistry

Theoretical Study of Hydrogen Bonds Between Acetylene and Selected Proton Donor Systems ´ . VIBO ´ K,2 G. J. HALA ´ SZ,3 S. SUHAI4

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:46:39
12Theoretical 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
13Quantum chemistry / Fragment molecular orbital / GAMESS / Coupled cluster / Electronic correlation / Ab initio quantum chemistry methods / Multi-configurational self-consistent field / Møller–Plesset perturbation theory / Hartree–Fock method / Chemistry / Computational chemistry / Theoretical chemistry

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Source URL: www.msg.chem.iastate.edu

Language: English - Date: 2013-06-18 13:15:37
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