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The electronic structure of PtCl2(NH3)2 (cis and trans isomers): an SCFXα study

✍ Scribed by M. Barber; J.D. Clark; A. Hinchliffe


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
307 KB
Volume
57
Category
Article
ISSN
0022-2860

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✍ Raymond A. Poirier; Dariush Majlessi; Theresa J. Zielinski 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 740 KB

Ab initio molecular orbital calculations at SCF level with the 3-21G, 6-31G, and 6-31G\*\* basis sets and CI level with the 6-31G basis set have been carried out for an isoelectronic series HX-CH=Y and X=CH-YH, where X, Y can be CH2, NH, and 0. Optimized structures (3-21G and 6-31G\*\*) for both tau