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Issue 1, 1998
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Prediction of the Molecular Structure, Internal Rotational Barriers and Vibrational Frequencies of Formamide by Non-local Density Functional Theory

Abstract

A state-of-the-art non-local density functional study of formamide is reported and compared with experimental molecular structure, internal rotational barriers and vibrational frequencies.

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Article type: Paper
DOI: 10.1039/A706017C
Citation: J. Chem. Res. (S), 1998, 1-1
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    Prediction of the Molecular Structure, Internal Rotational Barriers and Vibrational Frequencies of Formamide by Non-local Density Functional Theory

    F. U. Axe, V. Renugopalakrishnan and A. T. Hagler, J. Chem. Res. (S), 1998, 1
    DOI: 10.1039/A706017C

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