K. Parimala
Feb 28, 2017
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Journal
International journal of scientific research in science, engineering and technology
Abstract
The molecular structure, electronic spectrum (UV-Vis) and NMR spectra ( 13 C and 1 H) of p-Toluenesulfonyl isocyanate (PTIS) have been studied by Hartree-Fock (HF) method with 6-311++G** basis set. The present calculations reproduce the both experimental spectral characteristics of the PTIS.