Conformational analysis of propandione-1-oxime and its tautomers

• In: Miscellaneous - Posters
• At: Beijing (China) (2007)
• Type: Poster
• Poster code: M-P-018
• By: BEKHRADNIA, Ahmadreza (Faculty of Pharmacy, Sari, Iran)
• Co-author(s): Arshadi, Sattar (Payame Noor University, BEHSHAHR, Iran)
  
• Abstract:

  Ab initio conformational analyses of 1-phenyl-1,2-propandione-1-oxime (1) and its tautomeric forms, 1-nitroso-1-phenyl-1-propen-2-ol (2), 1-nitroso-1-phenyl-2-propanone (3), 2-hydroxy-1-phenyl-propenone oxime ( 4) and 3-nitroso-3-phenyl-propen-2-ol (5) are studied. These calculations are done at the Hartreeâ€'Fock (HF), Density Functional..

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