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Molecular structure, vibrational spectra, AIM, HOMO-LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree-Fock and density functional theory.

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Description scientific article
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author: Henryk Flakus  Noureddine Issaoui 

Publication date October 16, 2014
Language English
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