Quantum-chemical investigation of influence of solvation on structure and energy characteristics of lithium borohydride and aluminohydride
✍ Scribed by A. A. Gorbik; E. A. Khaikina; A. S. Zyubin; O. P. Charkin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1991
- Tongue
- English
- Weight
- 742 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Energy diagrams, changes of geometry and bond orders were calculated semi-empirically for the thermolysis of 1,2-dioxetane. Stretching of the O±O bond, then of the C±C bond and distortion of the whole quadrangular structure make major, but different, contributions to the reaction coordinate on the p
## Abstract A series of __N__‐4‐(4′‐alkoxybiphenyl)‐__N′,N′,N”,N“‐__tetramethylguanidinium salts was synthesized with varying alkoxy chain lengths and additional __N__‐alkyl substituents, each with a number of different counterions. X‐ray crystal‐structure analyses of **1b** **I**, **1b** **PF~6~**
The relationship between the chemical structure, first reduction and oxidation potentials of 30 Phenylquinolinylethyne (PhQE), and Phenylisoquinolinylethyne (PhIE) derivative compounds has been elucidated employing ab initio calculations. Quantum chemical calculations (HF/6-31G) were carried out to