Search Results - Simón-Carballido, Luis

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  1. 1
    Anharmonicity of Coupled Torsions: The Extended Two-Dimensional Torsion Method and Its Use To Assess More Approximate Methods

    Anharmonicity of Coupled Torsions: The Extended Two-Dimensional Torsion Method and Its Use To Assess More Approximate Methods by Simón-Carballido, Luis, Bao, Junwei Lucas, Alves, Tiago Vinicius, Meana-Pañeda, Rubén, Truhlar, Donald G, Fernández-Ramos, Antonio

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  2. 2
    Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction

    Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction by Simón-Carballido, Luis, Alves, Tiago Vinicius, Dybala-Defratyka, Agnieszka, Fernández-Ramos, Antonio

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  3. 3
    Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives

    Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives by Alves, Tiago Vinicius, Simón-Carballido, Luis, Ornellas, Fernando Rei, Fernández-Ramos, Antonio

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  4. 4
    Calculation of the two-dimensional non-separable partition function for two molecular systems

    Calculation of the two-dimensional non-separable partition function for two molecular systems by Simón-Carballido, Luis, Fernández-Ramos, Antonio

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