3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra von Rastogi, V.K, Palafox, M.Alcolea, Tanwar, R.P, Mittal, Lalit

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Vibrational frequencies and structure of 2-thiouracil by Hartree–Fock, post-Hartree–Fock and density functional methods von Palafox, M.Alcolea, Rastogi, V.K, Tanwar, R.P, Mittal, Lalit

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Ab initio calculations, FTIR and Raman spectra of 2,3-difluorobenzonitrile von Palafox, M.Alcolea, Rastogi, V.K, Singh, Chatar, Tanwar, R.P

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A comparative study of the vibrational frequencies and intensities in benzocaine by means of semiempirical methods: AM1, MINDO/3 and MNDO von Palafox, M.Alcolea

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Ab initio calculations of the structure and inversion barriers of chloramide, H 2NCl, and N-chloro- N-methylmethanamine, (CH 3) 2NCl von Khaikin, L.S., Grikina, O.E., Palafox, M.Alcolea, Vilkov, L.V.

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A comparative study of the procaine—H + structures. Interpretation of the procaine hydrochloride spectra by AM1 von Palafox, M.Alcolea

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AM1 study of several diazabicyclanones von Palafox, M.Alcolea

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Ab initio calculations of the structure and inversion barriers of chloramide, H2NCl, and N-chloro-N-methylmethanamine, (CH3)2NCl von Khaikin, L.S., Grikina, O.E., Palafox, M.Alcolea, Vilkov, L.V.

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Conformational study of several diazabicyclanols by the AM1 method von Palafox, M.Alcolea

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Conformational changes by ring puckering and inversion in 1,3,2-dioxaphospholene von Palafox, M.Alcolea, Perevozchikov, Vladimir I., Boggs, James E., Khaikin, Leonid S.

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