✦ LIBER ✦

Hydrogen-Transfer Reactions || Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

✍ Scribed by Hynes, James T.; Klinman, Judith P.; Limbach, Hans-Heinrich; Schowen, Richard L.

Book ID: 124060468
Publisher: Wiley-VCH Verlag GmbH & Co. KGaA
Year: 2006
Weight: 372 KB
Category: Article
ISBN: 352730777X
DOI: 10.1002/9783527611546.ch27

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Variational Transit

ChemInform Abstract: Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

✍ Donald G. Truhlar; Bruce C. Garrett 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB 👁 2 views

Mechanistic Aspects of Transition Metal-

Mechanistic Aspects of Transition Metal-Catalyzed Hydrogen Transfer Reactions

✍ Joseph S. M. Samec; Jan-E. Baeckvall; Pher G. Andersson; Peter Brandt 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 8 KB 👁 2 views

Mechanistic aspects of transition metal-

Mechanistic aspects of transition metal-catalyzed hydrogen transfer reactions

✍ Samec, Joseph S. M.; Bäckvall, Jan-E.; Andersson, Pher G.; Brandt, Peter 📂 Article 📅 2006 🏛 Royal Society of Chemistry 🌐 English ⚖ 438 KB

Trends in Ground-State Entropies for Tra

Trends in Ground-State Entropies for Transition Metal Based Hydrogen Atom Transfer Reactions

✍ Mader, Elizabeth A.; Manner, Virginia W.; Markle, Todd F.; Wu, Adam; Franz, Jame 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 731 KB

Radical hydrogen transfer reactions: ben

Radical hydrogen transfer reactions: benchmark calculations on the C2H4…H…C2H4 transition state

✍ John D. Watts; James A. Franz; Rodney J. Bartlett 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 337 KB

High level ab initio calculations using coupled-cluster (CC) methods have been applied to calculate the barrier height of the prototypical hydrocarbon radical hydrogen transfer reaction between C 2 H 4 and C 2 H 5. The barrier at 298 K is estimated to be 27.7-30.7 kcal mol-~. Second-order perturbati

Extensions of the Marcus equation for th

Extensions of the Marcus equation for the prediction of approximate transition state geometries in hydrogen transfer and methyl transfer reactions

✍ Paul Blowers; Richard I. Masel 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 168 KB