1. Advanced simulation techniques for the thermodynamic and kinetic characterization of biological systems. Issue 1 (1st January 2018) Authors: Camilloni, Carlo; Pietrucci, Fabio Journal: Advances in physics: X Issue: Volume 3:Issue 1(2018) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. CO2 capture in amine solutions: modelling and simulations with non-empirical methods. (31st October 2016) Authors: Andreoni, Wanda; Pietrucci, Fabio Journal: Journal of physics Issue: Volume 28:Number 50(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. First-principles study of boron speciation in calcite and aragonite. (15th November 2016) Authors: Balan, Etienne; Pietrucci, Fabio; Gervais, Christel; Blanchard, Marc; Schott, Jacques; Gaillardet, Jérome Journal: Geochimica et cosmochimica acta Issue: Volume 193(2016:Nov. 15) Page Start: 119 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. First-principles study of boron speciation in calcite and aragonite. (15th November 2016) Authors: Balan, Etienne; Pietrucci, Fabio; Gervais, Christel; Blanchard, Marc; Schott, Jacques; Gaillardet, Jérome Journal: Geochimica et cosmochimica acta Issue: Volume 193(2016:Nov. 15) Page Start: 119 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulations. Issue 8 (15th January 2021) Authors: Pietrucci, Fabio; Boero, Mauro; Andreoni, Wanda Journal: Chemical science Issue: Volume 12:Issue 8(2021) Page Start: 2979 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. One-step electric-field driven methane and formaldehyde synthesis from liquid methanol. Issue 3 (22nd December 2016) Authors: Cassone, Giuseppe; Pietrucci, Fabio; Saija, Franz; Guyot, François; Saitta, A. Marco Journal: Chemical science Issue: Volume 8:Issue 3(2017) Page Start: 2329 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation. Issue 1 (December 2017) Authors: Fitzner, Martin; Sosso, Gabriele; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos Journal: Nature communications Issue: Volume 8:Issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Prebiotic synthesis of nucleic acids and their building blocks at the atomic level – merging models and mechanisms from advanced computations and experiments. Issue 30 (3rd May 2016) Authors: Šponer, Judit E.; Szabla, Rafał; Góra, Robert W.; Saitta, A. Marco; Pietrucci, Fabio; Saija, Franz; Di Mauro, Ernesto; Saladino, Raffaele; Ferus, Martin; Civiš, Svatopluk; Šponer, Jiří Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 30(2016) Page Start: 20047 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Synthesis of (d)-erythrose from glycolaldehyde aqueous solutions under electric field. Issue 26 (7th February 2018) Authors: Cassone, Giuseppe; Sponer, Jiri; Sponer, Judit E.; Pietrucci, Fabio; Saitta, A. Marco; Saija, Franz Journal: Chemical communications Issue: Volume 54:Issue 26(2018) Page Start: 3211 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Theoretical isotopic fractionation between structural boron in carbonates and aqueous boric acid and borate ion. (1st February 2018) Authors: Balan, Etienne; Noireaux, Johanna; Mavromatis, Vasileios; Saldi, Giuseppe D.; Montouillout, Valérie; Blanchard, Marc; Pietrucci, Fabio; Gervais, Christel; Rustad, James R.; Schott, Jacques; Gaillardet, Jérôme Journal: Geochimica et cosmochimica acta Issue: Volume 222(2018) Page Start: 117 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗