𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Probing Stereoelectronic Interactions in an O–N–O Unit by the Atomic Energies: Experimental and Theoretical Electron Density Study

✍ Scribed by Nelyubina, Yulia V.; Lyssenko, Konstantin A.


Book ID
120248728
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
777 KB
Volume
117
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A theoretical study of the electronic st
✍ Ramón M. Sosa; Patricia Gardiol; Gerardo Beltrame 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 157 KB 👁 2 views

Electronic structures and properties of carbides MC, M C M s 5 . Ž . Fe, Ni, Cu , and TiC and Ti C were studied using density functional methods DF , 7 7 7 chosen. Optimization of the position of the C atom in the cluster, dissociation energies, distribution of charges in the molecule, and dipolar

Progress in the Understanding of Drug–Re
✍ Raffaella Soave; Mario Barzaghi; Riccardo Destro 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 558 KB

## Abstract A combined experimental and theoretical charge density study of an angiotensin II receptor antagonist (**1**) is presented focusing on electrostatic properties such as atomic charges, molecular electric moments up to the fourth rank and energies of the intermolecular interactions, to ga