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The molecular electrostatic potential of the dimethyl phosphate anion: An ab initio study

✍ Scribed by Hélène Berthod; Alberte Pullman

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
333 KB
Volume
32
Category
Article
ISSN
0009-2614

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✦ Synopsis

The molecular electiosmtic potential of tie dimethyl phosphate anion in its most stable confom~atioa is evaluated witi ab ini& ST0 3G wavefunctions. The anionic oxygens arc seen to be surrounded by a circulv zone of IVZdy ca~,tant negative potential whereas discrete smaller potential wells occur in the neighbourhood of the ester oxygens.

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