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Ab initio supermolecule study of charge transfer in the glyoxal–formamide and in the H2S–formamide systems

✍ Scribed by Peter Otto; Sándor Suhai; János Ladik


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
268 KB
Volume
12
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


Concept of charge transfer: Investigatio
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## Abstract In this paper an attempt is made to define charge transfer trying also other ways than Mulliken's population analysis. To illustrate this the amount of transferred charge (__q__) in the complexes HCONH~2~ + OHC—CHO in two relative geometrical positions, H~2~O + H~2~O and H~2~O + Li^+^ h

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✍ John R. Ball; Colin Thomson 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 480 KB

## Abstract The results of __ab initio__ “supermolecule” calculations of the charge transfer between formamide and the enol forms of methylglyoxal, ethylglyoxal, dimethylglyoxal, and propenylglyoxal are compared for several different conformations of the constituent molecules. The enols were found

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