𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Comments on a comparison of the photoelectron spectrum and crystal orbital calculations of polyethylene

✍ Scribed by J.M. André; J. Delhalle; S. Delhalle; R. Caudano; J.J. Pireaux; J.J. Verbist


Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
355 KB
Volume
23
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


A recenrwork on the comparison between ESCA and band structure mlculations on polyethylene is discussed.

In a recent paper [ 11, the experimentally observed photoelectron spectrum ofC36H74 [2] is compared with theoretical calculations based on crystal orbital theory at various levels of approximation (EHT, CNDO, INDO, MIND0


📜 SIMILAR VOLUMES


A comparison of the photoelectron spectr
✍ David L. Beveridge; Wyman Wun 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 195 KB

The experimentally observed photoelectron spectrum of C36H74 is compared with theoretical calculations based on crystal orbital theory at various ievels of approximation. The methods considered are EHT, CNDO, INDO, MIND0 and ab initio procedures. The results from the MIND0 calcuialion appear to give

Comments on the high resolution photoele
✍ L. Åsbrink; J.W. Rabalais 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 276 KB

The photoelectron spectra of Hz0 and D20 have been measured with stificient resolution to partially resolve: rotitionsl structure. The similarity between the band resu!h from the photoelectron position to theground ion$ state, ?B,, and one of the molecular Rydberg transitions is discilssed. Some of

Molecular-orbital calculations on transi
✍ W.Th.A.M. Van Der Lugt 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 391 KB

The results of some molecular-orbital caIculations on some transition-metal complexes according to a nove1 allvalence electron method are summarized. A comparison is made between the CalcuIated and experimental chargetransfer spectra. In addition, attention is drawn to the remarkable sequence of the

A comparison of perfect pairing and mole
✍ R.E. Bruce; K.A.R. Mitchell; M.L. Williams 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 329 KB

TIE perfect pairing and molecular orbital methods are compared using minimum bzscs of Slater-type orbit& for the calculation of properties of HF and two states of HF+. A discussion is given of the calculations of bond lengths and of valence and core ionization potenhls. '\_ '.