Yazar "Kavitha, E." için listeleme

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Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations

Kavitha, E.; Sundaraganesan, N.; Sebastian, S.; Kurt, M. (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

In this work, we report anharmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of naphthalene acetic acid (NAA). The optimized geometric bond lengths and bond angles obtained by computation ...