𝔖 Bobbio Scriptorium

✦ LIBER ✦

Optimal Electron Density Mechanism for Hydrogen on the Surface and at a Vacancy in Tungsten

✍ Scribed by Liu, Yue-Lin; Gao, An-Yuan; Lu, Wei; Zhou, Hong-Bo; Zhang, Ying

Book ID: 120290247
Publisher: Institute of Physics
Year: 2012
Tongue: English
Weight: 495 KB
Volume: 29
Category: Article
ISSN: 0256-307X
DOI: 10.1088/0256-307X/29/7/077101

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Tests with low-energy electron diffracti

Tests with low-energy electron diffraction for adsorbed Hydrogen and Nickel Hydroxide formed on the (100) surface of a Nickel crystal at 25°C

✍ H.E. Farnsworth; R.E. Schlier; Johannes Tuul 📂 Article 📅 1959 🏛 Elsevier Science 🌐 English ⚖ 269 KB

A Unified Perspective on the Hydrogen At

A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals

✍ Tishchenko, Oksana; Truhlar, Donald G.; Ceulemans, Arnout; Nguyen, Minh Tho 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 765 KB

[IEEE 2010 12th International Conference

[IEEE 2010 12th International Conference on Optimization of Electrical and Electronic Equipment (OPTIM) - Brasov, Romania (2010.05.20-2010.05.22)] 2010 12th International Conference on Optimization of Electrical and Electronic Equipment - A look at the role and main topologies of battery energy storage systems for integration in autonomous microgrids

✍ Serban, I.; Marinescu, C. 📂 Article 📅 2010 🏛 IEEE ⚖ 430 KB

Oxygenate, oxyalkyl and alkoxycarbonyl t

Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenatesElectronic supplementary information (ESI) available: Supplementary Table A: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational CONSTS (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by H atom from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table B: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational constants (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by CH3 group from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table C: Number of minima on the one-dimensional rotational potential energy surface and the relative energies (in kcal mol?1) of minima together with the total barrier height (in kcal mol?1) for rotation around the specified bond at the HF/6-31G(d?) level. See http://www.rsc.org/suppdata/cp/b3/b307050f/

✍ Sumathi, R.; Green, Jr., William H. 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 345 KB