An ab initio molecular orbital study of the trimethylgallium-arsine adduct: (CH3)3Ga:AsH3
โ Scribed by Charles W. Bock; Mendel Trachtman
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 300 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1040-0400
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๐ SIMILAR VOLUMES
An ab initio molecular orbital calculation has been carried out for three different conformations of I,3 propanediol, onr: ol'\vhich permits intrumolccular hvdroscn bonding. This is the first intrnmolwular H-bond stlidied by ab initio quanium mecllanicltl methods. The Af:' for H-bond Vormztion is co
The structure of the complex AIF,( and its inherent bonding have been studied using Hartree-Fock calculations with extended basis sets like DZP and TZ2P. The calculations result in a six-membered cyclic structure for the local mmimum. The six-membered ring is built of two weakly deformed HF molecule