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Density Functional Theory Investigation of the Active Site of Fe-Hydrogenases. Systematic Study of the Effects of Redox State and Ligands Hardness on Structural and Electronic Properties of Complexes Related to the [2Fe] H Subcluster

✍ Scribed by Bruschi, Maurizio; Fantucci, Piercarlo; De Gioia, Luca

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density Functional Theory Investigation

✍ Bruschi, Maurizio; Fantucci, Piercarlo; De Gioia, Luca 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 221 KB

DFT Investigation of Structural, Electro

✍ Bruschi, Maurizio; Fantucci, Piercarlo; De Gioia, Luca 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 221 KB

A Density Functional Theory Study on the

✍ Liu, Zhi-Pan; Hu, P. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 145 KB

Probing the structural effects on the in

✍ Shuqiang Niu; Toshiko Ichiye 📂 Article 📅 2006 🏛 Springer 🌐 English ⚖ 391 KB

Influence of a Large σ-Donor Ligand on S

✍ Claudio Greco; Maurizio Bruschi; Piercarlo Fantucci; Luca De Gioia 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 269 KB

Density Functional Theory Study of the S

✍ Chanda, Arani; de Oliveira, Filipe Tiago; Collins, Terrence J.; Münck, Eckard; 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 974 KB