𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electronic structre of cyanomethanes calculated by the MS Xα method

✍ Scribed by Jacques Weber; Nadia Thalmann; Edwin Haselbach


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
532 KB
Volume
57
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Electronic structure of phosphate ion ca
✍ Jacques Weber 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 393 KB

The importance of the choice of 2tomic spheres radii in the muMpIe scattering Xrr meri,crL is investigated using the pho~phate ion as a test exampte. The influence of various sets of spheres radii on both core and valence ictition energies is d& : CHEhfiCk PHY@ LETTERS '.

MS Xα calculations on the valence auger
✍ Pranawa C. Deshmukh; R.G. Hayes 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 435 KB

We have examtned the utdrty OC the MS Xo method of cakulatton of moieeular eleetrorue structure. in tbe transL(tonstale model, as a tool tn the analysis of valence Auger spectra, ustng CO as a test case. The method is not especiaiIy reliable tn preduztlon of ftnalstate energies, but serves reasonabl

Electronic structures of d0 complexes by
✍ Takeshi Mukoyama; Hirohiko Adachi 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 260 KB

The electronic structures of TcOr , RuO,, ReOi and 0~0~ have been studied using the discrete-variational Xcz molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.