𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study of the protonation of methylindole derivatives

✍ Scribed by J. Catalán; P. Pérez; M. Yáñez

Publisher
Elsevier Science
Year
1982
Tongue
French
Weight
703 KB
Volume
38
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The limits of electrostatic potential pr
The limits of electrostatic potential predictions: a theoretical study of nitrous acid and protonated derivatives
✍ A. Dargelos; S. El Ouadi; D. Liotard; M. Chaillet; J. Elguero 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 629 KB

The evaluation of electrostatic, polarization and charge transfer contributions give a powerful description of protonation mechanism. However, electrostatic predictions may be sometimes qualitatively inadequate. As an example, protonated species of the Z and E isomers of nitrous acid are investigate

The course of proton exchange reactions:
The course of proton exchange reactions: a theoretical study
✍ Dietmar Heidrich; Monika Rückert; Hans-Joachim Köhler 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 388 KB

Ab initio calculations on double proton transfer in six-membered rings indicate that as the polarity of the system increases the symmetric H-bonded structure is stabilized with respect to the asymmetric one. Strong donor-acceptor systems are candidates for the formation of cyclic vapour-phase ion pa

Isomeric structures of protonated ozone:
Isomeric structures of protonated ozone: A theoretical study
✍ Michael Kausch; Paul Von Ragué Schleyer 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 407 KB 👁 1 views

Ab initio molecular orbital calculations have been used to determine the structure of protonated ozone. Four stable minima were found on the 03H+ singlet potential energy surface. Three forms correspond to ozone protonated at the central oxygen ((22") or at the terminal oxygen (two C, isomers, E and

A theoretical study of protonated N2O
A theoretical study of protonated N2O
✍ Mark Vincent; Ian H. Hillier 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 208 KB

Ab initio MO calculations predict the preferred site of protonation of NzO to be at the oxygen atom, and yield a structure of N?OH+ and protonation energies in excellent accord with experiment.