𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The protonation of peptides: A non-empirical theoretical study

✍ Scribed by J.B. Moffat

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
589 KB
Volume
40
Category
Article
ISSN
0022-5193

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Semi-empirical theoretical study of the
Semi-empirical theoretical study of the ground state spin of a series of non-alternant non-Kekulé molecules
✍ T.P. Radhakrishnan 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 406 KB

The ground state spins of an interesting class of non-Kekuld molecules are predicted to be different from that obtained using simple Hilckel molecular orbital theory and Hund's rule. These predictions based on a general rule proposed recently are verified using semi-empirical AM 1 /CI calculations.

Theoretical study of a vanadate peptide
Theoretical study of a vanadate peptide complex
✍ B�hl, Michael 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 268 KB 👁 1 views

Ž . w Ž .Ž .Ž .x shifts GIAO-B3LYPrI are reported for selected VO OH OH glyglyЈ 2 w Ž .Ž .x Ž isomers, deprotonated forms thereof, and VO OH glyglyЈ glyglyЈ s . Ž 51 . H N-CH -CO-N-CH -COO . The ␦ V values are quite sensitive to 2 2 2 structural details in the first and second coordination spheres

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