✦ LIBER ✦

Possible Oxidative Polymerization Mechanism of 5,6-Dihydroxyindole from ab Initio Calculations

✍ Scribed by Okuda, Hidekazu; Wakamatsu, Kazumasa; Ito, Shosuke; Sota, Takayuki

Book ID: 127298689
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 229 KB
Volume: 112
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp711025m

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Methyaluminoxane (MAO) Polymerization Me

Methyaluminoxane (MAO) Polymerization Mechanism and Kinetic Model from Ab Initio Molecular Dynamics and Electronic Structure Calculations

✍ Negureanu, Lacramioara; Hall, Randall W.; Butler, Leslie G.; Simeral, Larry A. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 703 KB

The Mechanism of Formamide Hydrolysis in

The Mechanism of Formamide Hydrolysis in Water from Ab Initio Calculations and Simulations

✍ Leonid Gorb; Amparo Asensio; Iñaki Tuñón; Manuel F. Ruiz-López 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 194 KB 👁 2 views

## Abstract The neutral hydrolysis of formamide in water is a suitable reference to quantify the efficiency of proteolytic enzymes. However, experimental data for this reaction has only very recently been obtained and the kinetic constant determined experimentally is significantly higher than that

Ab initio MODPOT/VRDDO/MERGE calculation

Ab initio MODPOT/VRDDO/MERGE calculations on energetic compounds. I. Mechanism of initiation of cationic polymerization from electrostatic molecular potential contour maps

✍ Frank L. Tobin; P. C. Hariharan; Joyce J. Kaufman; Richard S. Miller 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 527 KB

An ab initio study of an oxidative mecha

An ab initio study of an oxidative mechanism that forms nitric oxide from theN-hydroxyguanidinium ion

✍ Dennis J. Stuehr; Anne-Marie Sapse; Danielle S. Sapse 📂 Article 📅 1993 🏛 Springer 🌐 English ⚖ 374 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on the interconversion of allene and propyne cation radicals and the mechanism for hydrogen loss from C3H4+·

✍ Gernot Frenking; Helmut Schwarz 📂 Article 📅 1983 🏛 Elsevier Science ⚖ 435 KB

Insight into Global Reaction Mechanism o

Insight into Global Reaction Mechanism of [C 2 , H 4 , O] System from ab Initio Calculations by the Scaled Hypersphere Search Method

✍ Yang, Xia; Maeda, Satoshi; Ohno, Koichi 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 761 KB