✦ LIBER ✦

Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates

✍ Scribed by García-Meseguer, Rafael; Martí, Sergio; Ruiz-Pernía, J. Javier; Moliner, Vicent; Tuñón, Iñaki

Book ID: 120469744
Publisher: Nature Publishing Group
Year: 2013
Tongue: English
Weight: 419 KB
Volume: 5
Category: Article
ISSN: 1755-4330
DOI: 10.1038/nchem.1660

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Solvent effects on the free energies of

Solvent effects on the free energies of ion-pairs, and of transition states in an SN1 and an SN2 reaction

✍ M.H. Abraham 📂 Article 📅 1970 🏛 Elsevier Science 🌐 French ⚖ 181 KB

The influence of solvents on the free energy of activation in the ionisation of t-butyl chloride may be dissected into initial-state and transition-state contributions through equation (I), where AGz(T) AG;([B.&l]\*) = AG;(Bu%l)

The He + H[sub 2][sup +] → HeH+ + H reac

The He + H[sub 2][sup +] → HeH+ + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range and comparison with experiments

✍ De Fazio, Dario; de Castro-Vitores, Miguel; Aguado, Alfredo; Aquilanti, Vincenzo 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 845 KB