✦ LIBER ✦

Computer Modeling of Probable Decomposition Reactions: Cyclonitramines

✍ Scribed by Tatyana S. Pivina; Ekaterina V. Sokerina; Dmitry E. Lushnikov; Aleksei A. Porollo; Victor P. Ivshin

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 203 KB
Volume: 24
Category: Article
ISSN: 0721-3115
DOI: 10.1002/(sici)1521-4087(199904)24:2<99::aid-prep99>3.0.co;2-f

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Kinetic modeling of tert-butyl radical d

Kinetic modeling of tert-butyl radical decomposition reaction

✍ Xiaobo Zheng; Paul Blowers 📂 Article 📅 2006 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 226 KB 👁 1 views

Sensitivity analysis and fast computatio

Sensitivity analysis and fast computation of packet loss probabilities in multiplexer models

✍ A. Cuyt; R. B. Lenin; K. Van der Borght 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 365 KB

Computational Modeling of Enzymatic Keto

Computational Modeling of Enzymatic Keto-Enol Isomerization Reactions

✍ Isabella Feierberg; Johan Aqvist 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 51 KB

Simulation of reaction and mixing situat

Simulation of reaction and mixing situations by computer models

✍ Mr. P. W. Coldrey; R. D. Radford; I. J. Harris 📂 Article 📅 1971 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 279 KB

Two-step consecutive reaction model and

Two-step consecutive reaction model and kinetic parameters relevant to the decomposition of Chinese forest fuels

✍ Haixiang Chen; Naian Liu; Weicheng Fan 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 171 KB

On the Origin of Altered Diastereomeric

On the Origin of Altered Diastereomeric Ratios for Anionic versus Neutral Reaction Conditions in the Oxy-Cope/Ene Reaction: An Interplay of Experiment and Computational Modeling

✍ James Hooper; Effiette L. O. Sauer; Steve Arns; Prof. Tom K. Woo; Prof. Louis Ba 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 404 KB 👁 1 views

## Abstract We report herein a detailed investigation into the reaction mechanism for a sequential oxy‐Cope/ene reaction under anionic conditions. With DFT calculations and ab initio molecular dynamics simulations, the observed diastereoselectivity is shown to be the result of an isomerization of t