𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio MO calculation of (η2-C60)Pt(PH3)2. Electronic structure and interaction between C60 and Pt

✍ Scribed by Nobuaki Koga; Keiji Morokuma


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
416 KB
Volume
202
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Synthesis, Characterization and Electroc
✍ Li-Cheng Song; Peng-Chong Liu; Jin-Ting Liu; Fu-Hai Su; Guang-Feng Wang; Qing-Me 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 245 KB

## Abstract This paper reports on several new optically active organometallic [60]fullerene complexes that contain a chiral (+)‐DIOP or (−)‐DIOP ligand [DIOP = 2,3‐__O__,__O′__‐isopropylidene‐2,3‐dihydroxy‐1,4‐bis(diphenylphosphanyl)butane]. The Mo/W complexes __mer__‐[(η^2^‐C~60~)M(CO)~3~{(−)‐DIOP

Ab initio MO calculations on the electro
✍ Jan Hrušák; Helmut Schwarz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio SCF calculations have been performed to determine the equilibrium geometry of the doubly charged firllerene, Cg . A significant Jahn-Teller distortion is found to be operative. The adiabatic double-ionization energy for the process C&I,) +Cg (DM) is calculated to be IE,,= 18.9 eV, this nu