Search Results - "de Amorim, Mauro Barbosa"

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    Structural determination of complex natural products by quantum mechanical calculations of 13C NMR chemical shifts: development of a parameterized protocol for terpenes by de Albuquerque, Ana Carolina Ferreira, Ribeiro, Daniel Joras, de Amorim, Mauro Barbosa

    Published in Journal of molecular modeling (01-08-2016)
    “…Nuclear magnetic resonance (NMR) spectroscopy is one of the most important tools for determining the structures of organic molecules. Despite the advances made…”
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    Journal Article
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    Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes by de Albuquerque, Ana Carolina Ferreira, Ribeiro, Daniel Joras, de Amorim, Mauro Barbosa

    Published in Journal of molecular modeling (01-08-2016)
    “…Nuclear magnetic resonance (NMR) spectroscopy is one of the most important tools for determining the structures of organic molecules. Despite the advances made…”
    Get full text
    Journal Article
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    GIAO‐HDFT scaling factor for 13 C NMR chemical shifts calculation by Costa, Fabio Luiz Paranhos, de Albuquerque, Ana Carolina Ferreira, dos Santos, Fernando Martins, de Amorim, Mauro Barbosa

    Published in Journal of physical organic chemistry (01-10-2010)
    “…Abstract In this paper, we present a GIAO‐HDFT scaling factor study, in which we intent to investigate the ability of GIAO‐HDFT/cc‐pVDZ to achieve a high…”
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    Journal Article
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    GIAO-HDFT scaling factor for 13C NMR chemical shifts calculation by Costa, Fabio Luiz Paranhos, de Albuquerque, Ana Carolina Ferreira, dos Santos Jr, Fernando Martins, de Amorim, Mauro Barbosa

    Published in Journal of physical organic chemistry (01-10-2010)
    “…In this paper, we present a GIAO‐HDFT scaling factor study, in which we intent to investigate the ability of GIAO‐HDFT/cc‐pVDZ to achieve a high…”
    Get full text
    Journal Article