Relation between total energy and orbital energy sum in molecules: Atomic and bonding contributions
β Scribed by G. Kemister; N.H. March
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 466 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The dissociation energies,Dz, of \*&e molecu@ ThRu and RuC have been measured by high temperature Knudsen cell mass spectrometry as 140.5 t 10 kcal mol-' or 587.9 f 42 kJ moT' and 154.0 f 3 kcal mol-' or 644.3 \* I2 kf moi-' , respectively. The high value for the dissociation energy of ThRu indicate
A relationship between ei, the energy contrrbution of the i?h localized molecular orbital, and (Rs$-= (tx'\\*) (~'\\*~l\\*'\\*, the "statistical effective volume" of the ith LMO, is discussed for a series of ten-electron hydrides. The equation I/ei= m((R3)i)2'3 where m is a constant holds accuratel