Vibrational, NMR and quantum chemical investigations of acetoacetanilde, 2-chloroacetoacetanilide and 2-methylacetoacetanilide

V Arjunan, M Kalaivani, S Senthilkumari…

Index: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 115, p. 154 - 174

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Citation Number: 21

Abstract

... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ... Chemical shifts for protons are reported in parts per million scales (δ scale) downfield from tetramethylsilane. ... the three-parameter hybrid functional Becke3 (B3) [14] and [15] for the exchange part and the ...

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