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On the participation of the vacant d-orbitals of selenium in conjugation

✍ Scribed by A. E. Lutskii; E. M. Obukhova; L. M. Yagopol'skii; V. G. Volushchuk

Book ID: 104923150
Publisher: SP MAIK Nauka/Interperiodica
Year: 1969
Tongue: English
Weight: 184 KB
Volume: 10
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00745810

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📜 SIMILAR VOLUMES

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The role of optimum supplementary d-orbi

The role of optimum supplementary d-orbitals for hypervalent selenium compounds

✍ J.G. Angyan; I.G. Csizmadia; R. Daudel; R.A. Poirier 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 347 KB

A supplementary darbital exponent for selenium, to be implemented with 3-21G type basis sets. is optlrnized for energy (0~ = 0.45) and for geometry ((Y = 0.50) for the molecule H$%O. The recommended exponent (a = 0.45) is tested by performing geometry optlmizations on S%, HzSe, SeO2, FzSeO and SeF4.

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STUDIES ON d-ORBITAL CONJUGATION. I. THE ABSENCE OF A THROUGH-CONJUGATION EFFECT IN SOME SULFONE CARBANIONS

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