Research output per year
Research output per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
Master of Science, Prediction of Partition Coefficients of Drug-Like Molecules Using Molecular Dynamics Simulations and Multiscale Cell Correlation , Department of Chemistry
16 Sep 2019 → 16 Sep 2020
Award Date: 18 Dec 2020
Bachelor of Science, Computational Study on Persistent Radical Species Formation Promoted by ZnO Defective Surfaces, Universita di Milano - Bicocca
1 Oct 2016 → 18 Jul 2019
Award Date: 18 Jul 2019
Areas of expertise
- QD Chemistry
- Computational Chemistry
- Molecular Dynamics
- Quantum Mechanics
- Quantum Chemical Topology
- Interacting Quantum Atoms
- Relative Energy Gradient
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A combined BET and IQA–REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions
Ríos-Gutiérrez, M., Falcioni, F., Domingo, L. R. & Popelier, P. L. A., 28 Mar 2023, In: Physical Chemistry Chemical Physics. 25, 15, p. 10853-10865 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile16 Downloads (Pure) -
How to Compute Atomistic Insight in DFT clusters: the REG-IQA Approach
Falcioni, F. & Popelier, P. L. A., 19 May 2023, (Accepted/In press) In: Journal of Chemical Information and Modeling.Research output: Contribution to journal › Article › peer-review
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REG-MULTI: Lifting the Veil on Electrostatic Interactions
Falcioni, F., Symons, B. C. B. & Popelier, P. L. A., 27 Feb 2023, (Accepted/In press) Advances in Quantum Chemistry. Elsevier BVResearch output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Energy-Entropy Prediction of Octanol-Water LogP of SAMPL7 N-Acyl Sulfonamide Bioisosters
Falcioni, F., Kalayan, J. & Henchman, R., 10 Jul 2021, In: Journal of computer-aided molecular design. 35, 7, p. 831-840 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile57 Downloads (Pure)