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The Journal of Physical Chemistry Letters
|
December 30, 2021
Predicting Spontaneous Orientational Self-Assembly: <i>In Silico</i> Design of Materials with Quantum Mechanically Derived Force Fields
Giacomo Prampolini, Leandro Greff da Silveira, J G Vilhena, et al.
Journal of Chemical Theory and Computation
|
January 5, 2018
Interaction Energy Landscapes of Aromatic Heterocycles through a Reliable yet Affordable Computational Approach
Matheus Jacobs, Leandro Greff Da Silveira, Giacomo Prampolini, et al.
Journal of Chemical Theory and Computation
|
July 25, 2018
Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles
Leandro Greff da Silveira, Matheus Jacobs, Giacomo Prampolini, et al.
Journal of Chemical Theory and Computation
|
October 19, 2022
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, et al.
Journal of Chemical Theory and Computation
|
June 29, 2021
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation
J G Vilhena, Leandro Greff da Silveira, Paolo Roberto Livotto, et al.
The Journal of Chemical Physics
|
June 24, 2019
Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2<sup>mod</sup>): Development and application to aromatic heterocycles
Ivo Cacelli, Filippo Lipparini, Leandro Greff da Silveira, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
December 30, 2021
Predicting Spontaneous Orientational Self-Assembly: <i>In Silico</i> Design of Materials with Quantum Mechanically Derived Force Fields
Giacomo Prampolini, Leandro Greff da Silveira, J G Vilhena, et al.
Journal of Chemical Theory and Computation
|
January 5, 2018
Interaction Energy Landscapes of Aromatic Heterocycles through a Reliable yet Affordable Computational Approach
Matheus Jacobs, Leandro Greff Da Silveira, Giacomo Prampolini, et al.
Journal of Chemical Theory and Computation
|
July 25, 2018
Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles
Leandro Greff da Silveira, Matheus Jacobs, Giacomo Prampolini, et al.
Journal of Chemical Theory and Computation
|
October 19, 2022
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, et al.
Journal of Chemical Theory and Computation
|
June 29, 2021
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation
J G Vilhena, Leandro Greff da Silveira, Paolo Roberto Livotto, et al.
The Journal of Chemical Physics
|
June 24, 2019
Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2<sup>mod</sup>): Development and application to aromatic heterocycles
Ivo Cacelli, Filippo Lipparini, Leandro Greff da Silveira, et al.
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of 1