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 Sept 2019 → 16 Sept 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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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Arginine Kinase Activates Arginine for Phosphorylation by Pyramidalization and Polarization
Falcioni, F., Robert W. Molt, J., Jin, Y., Waltho, J. P., Hay, S., Richards, N. G. J. & Blackburn, G. M., 3 May 2024, In: ACS Catalysis. 14, 9, p. 6650-6658 9 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA Study
Falcioni, F., Bennett, S., Stroer-Jarvis, P. & Popelier, P. L. A., 28 Feb 2024, In: Molecules. 29, 5, 1043.Research output: Contribution to journal › Article › peer-review
Open Access -
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 AccessFile44 Downloads (Pure) -
An Interacting Quantum Atoms and Multipolar Electrostatics Study of XH…π Interactions
Triestram, L., Falcioni, F. & Popelier, P., 14 Sept 2023, In: ACS Omega. 8, 38, p. 34844–34851Research output: Contribution to journal › Article › peer-review
Open Access -
How to Compute Atomistic Insight in DFT clusters: the REG-IQA Approach
Falcioni, F. & Popelier, P. L. A., 24 Jul 2023, In: Journal of Chemical Information and Modeling. p. 4312–4327Research output: Contribution to journal › Article › peer-review
Open Access