1. Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems. Issue 22 (30th August 2016) Authors: Bruschi, Maurizio; Breglia, Raffaella; Arrigoni, Federica; Fantucci, Piercarlo; De Gioia, Luca Other Names: Barone Vincenzo guestEditor. Journal: International journal of quantum chemistry Issue: Volume 116:Issue 22(2016) Page Start: 1695 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation. Issue 26 (21st June 2017) Authors: Magrì, Antonio; Tabbì, Giovanni; Breglia, Raffaella; De Gioia, Luca; Fantucci, Piercarlo; Bruschi, Maurizio; Bonomo, Raffaele P.; La Mendola, Diego Journal: Dalton transactions Issue: Volume 46:Issue 26(2017) Page Start: 8524 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]‐hydrogenase model: A DFT/TDDFT investigation. Issue 9 (21st November 2017) Authors: Bertini, Luca; Alberto, Marta Erminia; Arrigoni, Federica; Vertemara, Jacopo; Fantucci, Piercarlo; Bruschi, Maurizio; Zampella, Giuseppe; De Gioia, Luca Journal: International journal of quantum chemistry Issue: Volume 118:Issue 9(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. TDDFT modeling of the CO‐photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]‐hydrogenase catalytic site. Issue 13 (14th March 2014) Authors: Bertini, Luca; Greco, Claudio; Fantucci, Piercarlo; De Gioia, Luca Journal: International journal of quantum chemistry Issue: Volume 114:Issue 13(2014:Jul. 05) Page Start: 851 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site. Issue 3 (21st December 2017) Authors: Breglia, Raffaella; Greco, Claudio; Fantucci, Piercarlo; De Gioia, Luca; Bruschi, Maurizio Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 3(2017) Page Start: 1693 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site. Issue 3 (21st December 2017) Authors: Breglia, Raffaella; Greco, Claudio; Fantucci, Piercarlo; De Gioia, Luca; Bruschi, Maurizio Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 3(2017) Page Start: 1693 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗