𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Charge transfer complexes studied by semiempirical and ab initio methods: the effect of geometrical constraints on complex stability

✍ Scribed by Daniel Kost; Marcel Frailich

Book ID
114142537
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
808 KB
Volume
398-399
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab Initio Study of the Charge-Transfer C
Ab Initio Study of the Charge-Transfer Complex of Xenon and Dicarbon
✍ Jürgen Breidung; Walter Thiel 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 89 KB

## IN HONOR OF PROFESSOR HANS B ÜRGER FOR HIS MANY CONTRIBUTIONS TO SCIENCE Correlated ab initio calculations with large basis sets are reported for C 2 Xe. The complex has a linear structure and a considerable dipole moment due to charge transfer from xenon to dicarbon. The CXe interatomic potent

Ab initio Hartree–Fock crystal orbital s
Ab initio Hartree–Fock crystal orbital studies on charge-transfer complexes: Different crystal modifications of the same compounds
✍ E. B. Starikov 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 414 KB

Ab initio Hartree᎐Fock crystal-orbital calculations of dimorph ## Ž . tetramethyltetraselenafulvalene᎐tetracyanoquinodimethane TMTSF᎐TCNQ and Ž . dibenzotetrathiafulvalene᎐tetracyanoquinodimethane DBTTF᎐TCNQ , both as red and black crystals, were carried out. The crystal structures of the red and