Search Results - Fernández-Liencres, Maria Paz

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  1. 1
    An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: theory and preliminary application to toluene

    An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: theory and preliminary application to toluene by Borowski, Piotr, Fernández-Gómez, Manuel, Fernández-Liencres, Maria-Paz, Ruiz, Tomás Peña

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  2. 2
    An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: Application to toluene, styrene and its 4-methyl derivative

    An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: Application to toluene, styrene and its 4-methyl derivative by Borowski, Piotr, Fernández-Gómez, Manuel, Fernández-Liencres, Maria-Paz, Ruiz, Tomás Peña, Rincón, Manuel Quesada

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  3. 3
    A new, reduced set of scaling factors for both SQM and ESFF calculations

    A new, reduced set of scaling factors for both SQM and ESFF calculations by Borowski, Piotr, Drzewiecka, Aleksandra, Fernández-Gómez, Manuel, Fernández-Liencres, Maria Paz, Ruiz, Tomás Peña

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  4. 4
    An effective scaling frequency factor method for harmonic vibrational frequencies: The factors’ transferability problem

    An effective scaling frequency factor method for harmonic vibrational frequencies: The factors’ transferability problem by Borowski, Piotr, Drzewiecka, Aleksandra, Fernández-Gómez, Manuel, Fernández-Liencres, Maria Paz, Ruiz, Tomás Peña

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  5. 5
    Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research

    Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research by García, Gregorio, Navarro, Amparo, Granadino-Roldán, José Manuel, Garzón, Andrés, Ruiz, Tomás Peña, Fernández-Liencres, Maria Paz, Melguizo, Manuel, Peñas, Antonio, Pongor, Gábor, Eőri, János, Fernández-Gómez, Manuel

    Published in Chemical physics
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  6. 6
    New insight into the structure, internal rotation barrier and vibrational analysis of 2-fluorostyrene

    New insight into the structure, internal rotation barrier and vibrational analysis of 2-fluorostyrene by Tuttolomondo, María Eugenia, Navarro, Amparo, Peña, Tomás, Fernández-Liencres, María Paz, Granadino-Roldán, José Manuel, Parker, Stewart F., Fernández-Gómez, Manuel

    Published in Chemical physics
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  7. 7
    A quantum mechanical study on polymer flexibility: Extended model from monomer to tetramer of 2- and 4-bromostyrenes

    A quantum mechanical study on polymer flexibility: Extended model from monomer to tetramer of 2- and 4-bromostyrenes by Navarro, Amparo, Fernández-Liencres, M. Paz, Peña-Ruiz, Tomás, Granadino-Roldán, José Manuel, Fernández-Gómez, Manuel, Domínguez-Espinosa, Gustavo, Sanchís, María J.

    Published in Polymer (Guilford)
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