Theoretical Study and Comparasion of Bent's Rule with Hardness and Polarizibility for SF 4 , SF 4 O, PCl 4 F, PCl 3 F 2 , PCl 2 F 3 , PCl 2 F 4 Molecules
โ Scribed by Kandemirli, Fatma; Hoscan, Meral; Dimoglo, Anatoly; Esen, Seval
- Book ID
- 126878936
- Publisher
- Taylor and Francis Group
- Year
- 2008
- Tongue
- English
- Weight
- 406 KB
- Volume
- 183
- Category
- Article
- ISSN
- 1042-6507
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The insertion reactions of the titanium atom cation Ti F into HF, HCl, H O, H S, NH , PH , CH , and SiH have been studied by ab initio molecular orbital 2 2 3 3 4 4 theory. All these reactions involve the initial formation of an intermediate complex followed by a hydrogen migration process via a tr
Based on an activation model, a available scheme to calculate the rate of the electron-transfer reaction between transition-metal complexes in aqueous solution is presented. Ab initio technique is used to determine the electron-transfer reactivity of the type M(H 2 O) 2+/3+ 6 of transition-metal com