Search Results - Greff da Silveira, Leandro

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  1. 1
    Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles

    Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and applicat... by Cacelli, Ivo, Lipparini, Filippo, Greff da Silveira, Leandro, Jacobs, Matheus, Livotto, Paolo Roberto, Prampolini, Giacomo

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  2. 2
    Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter

    Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter by Greff da Silveira, Leandro, Livotto, Paolo Roberto, Padula, Daniele, Vilhena, J. G., Prampolini, Giacomo

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  3. 3
    Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles

    Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles by Greff da Silveira, Leandro, Jacobs, Matheus, Prampolini, Giacomo, Livotto, Paolo Roberto, Cacelli, Ivo

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  4. 4
    Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation

    Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation by Vilhena, J. G, Greff da Silveira, Leandro, Livotto, Paolo Roberto, Cacelli, Ivo, Prampolini, Giacomo

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  5. 5
    Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields

    Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields by Prampolini, Giacomo, Greff da Silveira, Leandro, Vilhena, J. G, Livotto, Paolo Roberto

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  6. 6
    Interaction Energy Landscapes of Aromatic Heterocycles through a Reliable yet Affordable Computational Approach

    Interaction Energy Landscapes of Aromatic Heterocycles through a Reliable yet Affordable Computational Approach by Jacobs, Matheus, Greff Da Silveira, Leandro, Prampolini, Giacomo, Livotto, Paolo Roberto, Cacelli, Ivo

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  7. 7
    Computational investigation of mechanistic aspects of the alkylation of chiral enamines

    Computational investigation of mechanistic aspects of the alkylation of chiral enamines by da Silveira, Leandro Greff, Sacheto, Doriane, Netz, Paulo Augusto, de Oliveira, Eduardo Rolim

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