𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Characterization of Intramolecular Hydrogen Bonds by Atomic Charges and Charge Fluxes

✍ Scribed by Baranović, Goran; Biliškov, Nikola; Vojta, Danijela

Book ID
118177102
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
803 KB
Volume
116
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Formation of weak hydrogen-bonded comple
Formation of weak hydrogen-bonded complexes as predicted by experimental atomic charges
✍ M. Gussoni; C. Castiglioni; G. Zerbi 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 477 KB

A very simple electrostatic model for the binding energy in weak intermolecular interaction is proposed\_ The model requires the knowledge of atomic equilibrium charges which can be derived from molecular dipole moments and infrared in- ## tensities. The binding energy computed with this model for

Variation of atomic charges during proto
Variation of atomic charges during proton transfer in hydrogen bonds
✍ Jan FloriáN; Steve Scheiner 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 653 KB

The point atomic charges in a number of ionic H-bonded systems are studied by ab initio calculations as functions of the proton transfer coordinate. In the proton-bound complexes of water-water, ammonia-ammonia, formamidewater, formamide-ammonia, and dimethylether-ammonia, the net atomic charges wer