✦ LIBER ✦

A DFT study of the hematite surface state in the presence of H2, H2O and O2

✍ Scribed by Souvi, Sidi M.O.; Badawi, Michael; Paul, Jean-François; Cristol, Sylvain; Cantrel, Laurent

Book ID: 118203162
Publisher: Elsevier Science
Year: 2013
Tongue: English
Weight: 930 KB
Volume: 610
Category: Article
ISSN: 0039-6028
DOI: 10.1016/j.susc.2012.12.012

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

H-Bond Network in Amino Acid Cocrystals

H-Bond Network in Amino Acid Cocrystals with H2O or H2O2. The DFT Study of Serine–H2O and Serine–H2O2

✍ Vener, Mikhail V.; Medvedev, Alexander G.; Churakov, Andrei V.; Prikhodchenko, P 📂 Article 📅 2011 🏛 American Chemical Society 🌐 English ⚖ 843 KB

Catalytic Properties of Surface Sites on

Catalytic Properties of Surface Sites on Pd Clusters for Direct H 2 O 2 Synthesis from H 2 and O 2 : A DFT Study

✍ Deguchi, Takashi; Iwamoto, Masakazu 📂 Article 📅 2013 🏛 American Chemical Society 🌐 English ⚖ 855 KB

Surface Chemistry of Cu in the Presence

Surface Chemistry of Cu in the Presence of CO 2 and H 2 O

✍ Deng, Xingyi; Verdaguer, Albert; Herranz, Tirma; Weis, Christoph; Bluhm, Hendrik 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 608 KB

Ab initio study of the two competitive c

Ab initio study of the two competitive channels HO2 + H → H2 + O2 and HO2 + H → H2O + O

✍ A. Boutalib; H. Cardy; C. Chevaldonnet; M. Chaillet 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 684 KB

Theoretical Study of the Ionization of t

Theoretical Study of the Ionization of the H2O-H2O, NH3-H2O, and FH-H2O Hydrogen-Bonded Molecules

✍ Sodupe, Mariona; Oliva, Antonio; Bertran, Juan 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 985 KB

Theoretical studies of the clathrate str

Theoretical studies of the clathrate structures of (H2O)20, H+ (H2O)20 and H+ (H2O)21

✍ Arshad Khan 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 825 KB

Structuresof (HrO), (W20), H+(HaO)zo (HW20) and H+(HrO)rr (HW21) clusters were determined by applyingtheZemer's intermediate neglect of differential overlap self-consistent field unrestricted Hat-tree-Fock (ZINDO SCF UHF) method after appropriate parametrization and yield a dodecahedral arrangement