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Ab initio calculations for Ar2+, He2+ and He3+, of interest for the modelling of ionic rare-gas clusters

✍ Scribed by Florent Xavier Gadea; Ivana Paidarová


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
685 KB
Volume
209
Category
Article
ISSN
0301-0104

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Ab initio calculations on (SiH3)2F+: sta
✍ Edgar W. Ignacio; H.Bernhard Schlegel; Jozef Bicerano 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 527 KB

Ab initio calculations have been performed on model molecular clusters simulating bridging fluorine configurations in fluorinated amorphous silicon. Optimized geometries, total energies and vibrational frequencies have been computed for (SiH&F+ clusters with the terminal SiH, groups eclipsed or stag