Search Results - "Claudio Greco"

Outreach: Impact on Skills and Future Careers of Postgraduate Practitioners Working with the Bristol ChemLabS Centre for Excellence in Teaching and Learning

Authors: Timothy G. Harrison Shirin Alexander Nick Barron et al.

Source: Journal of Chemical Education. 2023 100(11):4270-4278.

Peer Reviewed: Y

Page Count: 9

Descriptors: Graduate Study, Outreach Programs, Skill Development, Employment Potential, College Science, Chemistry, Foreign Countries, Program Effectiveness, Long Range Planning, Career Choice, STEM Careers, Partnerships in Education

Geographic Terms: United Kingdom (Bristol)

DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active Site.

Authors: Luca Bertini Claudio Greco Luca De Gioia et al.

Source: Journal of Physical Chemistry A. May2009, Vol. 113 Issue 19, p5657-5670. 14p.

Subjects: Density functionals, Potential energy surfaces, Hydrogenase, Binding sites, Ligands (Chemistry), Quantum theory, Electron distribution, Mathematical models

Electrocatalytic dihydrogen evolution mechanism of [Fe2(CO)4(κ2-Ph2PCH2CH2PPh2)(μ-S(CH2)3S)] and related models of the [FeFe]-hydrogenases active site: a DFT investigationElectronic supplementary information (ESI) available: Optimized geometries of variously substituted monoprotonated complexes (Fig. S1, S2 and S3); optimized geometries of diprotonated cationic (Fig. S4), neutral (Fig. S5) and anionic complexes (Fig. S6); optimized geometries of triprotonated cationic (Fig. S7) and neutral (Fig. S8) complexes. See DOI: 10.1039/b926040d

Authors: Claudio Greco Piercarlo Fantucci Luca De Gioia et al.

Source: Dalton Transactions: An International Journal of Inorganic Chemistry. Jul2010, Vol. 39 Issue 31, p7320-7329. 10p.

Subjects: Electrocatalysis, Reaction mechanisms (Chemistry), Organoiron compounds, Hydrogenase, Binding sites, Hydrogen production, Density functionals, Proton transfer reactions

CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study.

Authors: Luca Bertini Claudio Greco Maurizio Bruschi et al.

Source: Organometallics. May2010, Vol. 29 Issue 9, p2013-2025. 13p.

Subjects: Hydrogenase, Metal bonding, Carbon monoxide, Metal complexes, Iron compounds, Density functionals, Addition reactions, Binding sites